N-(4-aminocyclohexyl)-3-(5-chlorothiophen-2-yl)propanamide

C13H19ClN2OS — CID 119475922

IUPACN-(4-aminocyclohexyl)-3-(5-chlorothiophen-2-yl)propanamide
SMILESNC1CCC(NC(=O)CCc2ccc(Cl)s2)CC1
InChIInChI=1S/C13H19ClN2OS/c14-12-7-5-11(18-12)6-8-13(17)16-10-3-1-9(15)2-4-10/h5,7,9-10H,1-4,6,8,15H2,(H,16,17)
InChIKeyPCJVHXZSVHNOMV-UHFFFAOYSA-N
MW286.83 g/mol
LogP2.72
Rot. Bonds4

About N-(4-aminocyclohexyl)-3-(5-chlorothiophen-2-yl)propanamide

N-(4-aminocyclohexyl)-3-(5-chlorothiophen-2-yl)propanamide (PubChem CID 119475922) has the molecular formula C13H19ClN2OS and a molecular weight of 286.83 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-3-(5-chlorothiophen-2-yl)propanamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-3-(5-chlorothiophen-2-yl)propanamide
PubChem CID119475922
Molecular FormulaC13H19ClN2OS
Molecular Weight286.83 g/mol
Exact Mass286.09
IUPAC NameN-(4-aminocyclohexyl)-3-(5-chlorothiophen-2-yl)propanamide
SMILESNC1CCC(NC(=O)CCc2ccc(Cl)s2)CC1
InChIInChI=1S/C13H19ClN2OS/c14-12-7-5-11(18-12)6-8-13(17)16-10-3-1-9(15)2-4-10/h5,7,9-10H,1-4,6,8,15H2,(H,16,17)
InChIKeyPCJVHXZSVHNOMV-UHFFFAOYSA-N
XLogP2.72
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.83
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(4-aminocyclohexyl)-3-(5-chlorothiophen-2-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(5-chlorothiophen-2-yl)-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119451026
3-(5-chlorothiophen-2-yl)-N-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]propanamide
CID 94824818
N-[2-(5-chlorothiophen-2-yl)ethyl]-3-(cyclopropylamino)propanamide
CID 114140580
3-(5-chlorothiophen-2-yl)-N-[(5R,9R)-6-oxa-2-thiaspiro[4.5]decan-9-yl]propanamide
CID 97013076
3-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-cyclohexylpropanamide
CID 78850861
N-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(5-chlorothiophen-2-yl)propanamide
CID 100838666
3-(5-chlorothiophen-2-yl)-N-(2-methylpiperidin-3-yl)propanamide
CID 120576515
3-(5-chlorothiophen-2-yl)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120555813
3-(5-chlorothiophen-2-yl)-N-(2-methylpiperidin-3-yl)propanamide;hydrochloride
CID 120576514
N-(4-aminocyclohexyl)-3-(2-bromo-5-chlorophenyl)propanamide;hydrochloride
CID 119476172
N-(1-amino-2-methylpropan-2-yl)-3-(5-chlorothiophen-2-yl)propanamide;hydrochloride
CID 119522559
3-(5-chlorothiophen-2-yl)-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]propanamide
CID 60559749

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-3-(5-chlorothiophen-2-yl)propanamide?
The IUPAC name of N-(4-aminocyclohexyl)-3-(5-chlorothiophen-2-yl)propanamide (CID 119475922) is N-(4-aminocyclohexyl)-3-(5-chlorothiophen-2-yl)propanamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-3-(5-chlorothiophen-2-yl)propanamide?
The canonical SMILES for N-(4-aminocyclohexyl)-3-(5-chlorothiophen-2-yl)propanamide is NC1CCC(NC(=O)CCc2ccc(Cl)s2)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-3-(5-chlorothiophen-2-yl)propanamide?
The InChIKey is PCJVHXZSVHNOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2OS/c14-12-7-5-11(18-12)6-8-13(17)16-10-3-1-9(15)2-4-10/h5,7,9-10H,1-4,6,8,15H2,(H,16,17).
What are the key properties of N-(4-aminocyclohexyl)-3-(5-chlorothiophen-2-yl)propanamide?
N-(4-aminocyclohexyl)-3-(5-chlorothiophen-2-yl)propanamide has a molecular weight of 286.83 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-3-(5-chlorothiophen-2-yl)propanamide is sourced from PubChem (CID 119475922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).