Basic information
- CAS
40106-18-1- Standard SMILES
NC(=O)c1c(N)sc2c1CCCCCCCCCC2- InChIKey
ZWYJGZBVZUJYQE-UHFFFAOYSA-N- Molecular formula
- C15H24N2OS
- Average molar mass
- 280.4 g/mol
Names & identifiers
- Preferred name
- 2-Amino-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxamide
- IUPAC
- 2-amino-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxamide
- English name
- 2-Amino-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxamide
- Molecular formula
- C15H24N2OS
- Molecular weight
- 280.43
Names & synonyms
2-amino-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxamide40106-18-12-amino-4H,5H,6H,7H,8H,9H,10H,11H,12H,13H-cyclododeca[b]thiophene-3-carboxamideMFCD01993635CBMicro_032789Oprea1_063484CHEMBL1479796ALBB-001805BBL037388SBB019648STK348751AKOS000304290
Show more names
ZINC0465141614-amino-13-thiabicyclo[10.3.0]pentadeca-1(12),14-diene-15-carboxamideCyclododeca[b]thiophene-3-carboxamide, 2-amino-4,5,6,7,8,9,10,11,12,13-decahydro-
VS-14119BIM-0032851.P001CS-0316010H21715AK-968/410245182-amino-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[1,2-b]thiophene-3-carboxa mide
Database identifiers
- CAS
40106-18-1- ChEMBL
CHEMBL1479796
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 97.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 298
Physicochemical properties
- Boiling point
- 421.6 · 421.6±45.0 °C(Predicted)
- Density
- 1.107 · 1.107±0.06 g/cm3(Predicted)
- pka
- 15.75 · 15.75±0.20(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
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