Basic information
- CAS
1089279-70-8- Standard SMILES
COc1cc(N2CCC(N3CCN(S(C)(=O)=O)CC3)CC2)ccc1N- InChIKey
FFTOLDIVYYDOTJ-UHFFFAOYSA-N- Molecular formula
- C17H28N4O3S
- Average molar mass
- 368.5 g/mol
- Monoisotopic mass
- 368.18821194
Names & identifiers
- Preferred name
- 2-(Methyloxy)-4-{4-[4-(methylsulfonyl)-1-piperazinyl]-1-piperidinyl}aniline
- IUPAC
- 2-methoxy-4-[4-(4-methylsulfonylpiperazin-1-yl)piperidin-1-yl]aniline
- English name
- 2-(methyloxy)-4-{4-[4-(methylsulfonyl)-1-piperazinyl]-1-piperidinyl}aniline
- Molecular formula
- C17H28N4O3S
- Molecular weight
- 368.49
Names & synonyms
1089279-70-82-(methyloxy)-4-{4-[4-(methylsulfonyl)-1-piperazinyl]-1-piperidinyl}aniline2-methoxy-4-[4-(4-methylsulfonylpiperazin-1-yl)piperidin-1-yl]anilineSCHEMBL309660DTXSID90725831FFTOLDIVYYDOTJ-UHFFFAOYSA-NDB-2919902-Methoxy-4-(4-(4-(methylsulfonyl)piperazin-1-yl)piperidin-1-yl)aniline2-Methoxy-4-[4-[4-(methylsulfonyl)-1-piperazinyl]-1-piperidyl]aniline4-{4-[4-(Methanesulfonyl)piperazin-1-yl]piperidin-1-yl}-2-methoxyanilineBenzenamine, 2-methoxy-4-[4-[4-(methylsulfonyl)-1-piperazinyl]-1-piperidinyl]-
Database identifiers
- CAS
1089279-70-8- PubChem CID
- 57416151
- DTXSID
DTXSID90725831
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 87.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 523
Chemistry & industry
Suppliers5 total
上海超岚化工科技中心（原上海巢莱）0-2022843681 15618226720 · [email protected]
上海人兮科技有限公司021-67759270 17717059219 · [email protected]
上海佰纳医药科技有限公司021-58123769 18678586262 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
上海佰纳医药科技有限公司021-58123769 17721400256 · [email protected]
Related reactions
16 records
Compound notes
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