Basic information
- CAS
587851-03-4- Standard SMILES
CCc1c(C)sc(N)c1C(=O)N1CCCCC1- InChIKey
CCFJZLLSLUHEPL-UHFFFAOYSA-N- Molecular formula
- C13H20N2OS
- Average molar mass
- 252.38 g/mol
- Monoisotopic mass
- 252.12963444
Names & identifiers
- Preferred name
- 4-Ethyl-5-methyl-3-(piperidin-1-ylcarbonyl)thien-2-ylamine
- IUPAC
- (2-amino-4-ethyl-5-methylthiophen-3-yl)-piperidin-1-ylmethanone
- English name
- 4-ETHYL-5-METHYL-3-(PIPERIDIN-1-YLCARBONYL)THIEN-2-YLAMINE
- Molecular formula
- C13H20N2OS
- Molecular weight
- 252.38
Names & synonyms
587851-03-44-ethyl-5-methyl-3-(piperidin-1-ylcarbonyl)thien-2-ylamine(2-amino-4-ethyl-5-methylthiophen-3-yl)(piperidin-1-yl)methanoneMFCD03422688(2-amino-4-ethyl-5-methylthiophen-3-yl)-piperidin-1-ylmethanone4-ethyl-5-methyl-3-(piperidine-1-carbonyl)thiophen-2-amineOprea1_100874DTXSID401189710ALBB-001967BBL016781STK434485AKOS003295573
Show more names
Methanone, (2-amino-4-ethyl-5-methyl-3-thienyl)-1-piperidinyl-
VS-05563ST50842427H218562-amino-4-ethyl-5-methyl(3-thienyl) piperidyl ketone(2-amino-4-ethyl-5-methyl-3-thienyl)-(1-piperidyl)methanone(2-Amino-4-ethyl-5-methyl-3-thienyl)-1-piperidinylmethanone
Database identifiers
- CAS
587851-03-4- PubChem CID
- 4494512
- DTXSID
DTXSID401189710
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 279
Physicochemical properties
- Boiling point
- 453.8 · 453.8±45.0 °C(Predicted)
- Density
- 1.171 · 1.171±0.06 g/cm3(Predicted)
- pka
- 1.34 · 1.34±0.13(Predicted)
Chemistry & industry
Suppliers1 total
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…