3-amino-N-(2-methylsulfanylcyclohexyl)butanamide

C11H22N2OS — CID 103812043

IUPAC3-amino-N-(2-methylsulfanylcyclohexyl)butanamide
SMILESCSC1CCCCC1NC(=O)CC(C)N
InChIInChI=1S/C11H22N2OS/c1-8(12)7-11(14)13-9-5-3-4-6-10(9)15-2/h8-10H,3-7,12H2,1-2H3,(H,13,14)
InChIKeySZQVRDPFCQLMMJ-UHFFFAOYSA-N
MW230.38 g/mol
LogP1.51
Rot. Bonds4

About 3-amino-N-(2-methylsulfanylcyclohexyl)butanamide

3-amino-N-(2-methylsulfanylcyclohexyl)butanamide (PubChem CID 103812043) has the molecular formula C11H22N2OS and a molecular weight of 230.38 g/mol. Its IUPAC name is 3-amino-N-(2-methylsulfanylcyclohexyl)butanamide.

Molecular Properties

Compound Name3-amino-N-(2-methylsulfanylcyclohexyl)butanamide
PubChem CID103812043
Molecular FormulaC11H22N2OS
Molecular Weight230.38 g/mol
Exact Mass230.15
IUPAC Name3-amino-N-(2-methylsulfanylcyclohexyl)butanamide
SMILESCSC1CCCCC1NC(=O)CC(C)N
InChIInChI=1S/C11H22N2OS/c1-8(12)7-11(14)13-9-5-3-4-6-10(9)15-2/h8-10H,3-7,12H2,1-2H3,(H,13,14)
InChIKeySZQVRDPFCQLMMJ-UHFFFAOYSA-N
XLogP1.51
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-N-(2-methylsulfanylcyclohexyl)butanamide 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

(2S)-2-amino-N-(2-methylsulfanylcyclopentyl)propanamide
CID 103797253
2-(cyclopropylamino)-N-(2-methylsulfanylcyclohexyl)acetamide
CID 103843972
(3S)-3-amino-N-cyclobutylbutanamide
CID 94423965
N-[(1R,2R)-2-methylsulfanylcyclooctyl]acetamide
CID 131884719
3-amino-N-(2-benzylcyclohexyl)butanamide
CID 119773392
3-amino-N-(3-methylsulfanylcyclohexyl)butanamide;hydrochloride
CID 119794960
6-amino-4,4-dimethyl-N-(2-methylsulfanylcyclopentyl)hexanamide
CID 114121464
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-methylsulfanylcyclopentyl)acetamide
CID 103811825
2-[2-[(2-methylsulfanylcyclohexyl)amino]-2-oxoethyl]benzoic acid
CID 103932697
N-(2-methylsulfanylcyclohexyl)-3-pyrrolidin-3-ylpropanamide
CID 103859937
(E)-N-(2-methylsulfanylcyclohexyl)but-2-enamide
CID 103683381
1-[(2S)-4-methylsulfanylbutan-2-yl]-3-[(1R,2S)-2-methylsulfanylcyclopentyl]urea
CID 96518851

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-methylsulfanylcyclohexyl)butanamide?
The IUPAC name of 3-amino-N-(2-methylsulfanylcyclohexyl)butanamide (CID 103812043) is 3-amino-N-(2-methylsulfanylcyclohexyl)butanamide.
What is the SMILES notation for 3-amino-N-(2-methylsulfanylcyclohexyl)butanamide?
The canonical SMILES for 3-amino-N-(2-methylsulfanylcyclohexyl)butanamide is CSC1CCCCC1NC(=O)CC(C)N.
What is the InChIKey of 3-amino-N-(2-methylsulfanylcyclohexyl)butanamide?
The InChIKey is SZQVRDPFCQLMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2OS/c1-8(12)7-11(14)13-9-5-3-4-6-10(9)15-2/h8-10H,3-7,12H2,1-2H3,(H,13,14).
What are the key properties of 3-amino-N-(2-methylsulfanylcyclohexyl)butanamide?
3-amino-N-(2-methylsulfanylcyclohexyl)butanamide has a molecular weight of 230.38 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-methylsulfanylcyclohexyl)butanamide is sourced from PubChem (CID 103812043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).