4-(3-methylcyclohexyl)sulfanyl-2-(propylamino)butanamide

C14H28N2OS — CID 63035288

IUPAC4-(3-methylcyclohexyl)sulfanyl-2-(propylamino)butanamide
SMILESCCCNC(CCSC1CCCC(C)C1)C(N)=O
InChIInChI=1S/C14H28N2OS/c1-3-8-16-13(14(15)17)7-9-18-12-6-4-5-11(2)10-12/h11-13,16H,3-10H2,1-2H3,(H2,15,17)
InChIKeyYYHGCJBCWSJERS-UHFFFAOYSA-N
MW272.46 g/mol
LogP2.54
Rot. Bonds8

About 4-(3-methylcyclohexyl)sulfanyl-2-(propylamino)butanamide

4-(3-methylcyclohexyl)sulfanyl-2-(propylamino)butanamide (PubChem CID 63035288) has the molecular formula C14H28N2OS and a molecular weight of 272.46 g/mol. Its IUPAC name is 4-(3-methylcyclohexyl)sulfanyl-2-(propylamino)butanamide.

Molecular Properties

Compound Name4-(3-methylcyclohexyl)sulfanyl-2-(propylamino)butanamide
PubChem CID63035288
Molecular FormulaC14H28N2OS
Molecular Weight272.46 g/mol
Exact Mass272.19
IUPAC Name4-(3-methylcyclohexyl)sulfanyl-2-(propylamino)butanamide
SMILESCCCNC(CCSC1CCCC(C)C1)C(N)=O
InChIInChI=1S/C14H28N2OS/c1-3-8-16-13(14(15)17)7-9-18-12-6-4-5-11(2)10-12/h11-13,16H,3-10H2,1-2H3,(H2,15,17)
InChIKeyYYHGCJBCWSJERS-UHFFFAOYSA-N
XLogP2.54
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(3-methylcyclohexyl)sulfanyl-2-(propylamino)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

4-(3-methylcyclohexyl)oxy-2-(propylamino)butanamide
CID 63041133
3-(3-methylcyclohexyl)sulfanylpropanamide
CID 62721555
4-cyclopentylsulfanyl-2-(methylamino)butanamide
CID 63115981
4-cyclobutyloxy-2-(propylamino)butanamide
CID 63035850
2-ethoxy-4-(3-methylcyclohexyl)sulfanylbutanoic acid
CID 55180912
4-(3-methylcyclohexyl)sulfanyl-N-propan-2-ylbutan-1-amine
CID 62723006
1-(3,3-diethoxypropylsulfanyl)-3-methylcyclohexane
CID 63629815
2-methyl-6-(3-methylcyclohexyl)sulfanyl-2-(propylamino)hexanoic acid
CID 63466029
N-ethyl-1-(3-methylcyclohexyl)sulfanylpentan-2-amine
CID 64632799
4-cyclohexyloxy-2-(propylamino)butanamide
CID 63039498
4-cycloheptyloxy-2-(propylamino)butanamide
CID 63039984
4-(2,3-dimethylpiperidin-1-yl)-2-(propylamino)butanamide
CID 63053485

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylcyclohexyl)sulfanyl-2-(propylamino)butanamide?
The IUPAC name of 4-(3-methylcyclohexyl)sulfanyl-2-(propylamino)butanamide (CID 63035288) is 4-(3-methylcyclohexyl)sulfanyl-2-(propylamino)butanamide.
What is the SMILES notation for 4-(3-methylcyclohexyl)sulfanyl-2-(propylamino)butanamide?
The canonical SMILES for 4-(3-methylcyclohexyl)sulfanyl-2-(propylamino)butanamide is CCCNC(CCSC1CCCC(C)C1)C(N)=O.
What is the InChIKey of 4-(3-methylcyclohexyl)sulfanyl-2-(propylamino)butanamide?
The InChIKey is YYHGCJBCWSJERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2OS/c1-3-8-16-13(14(15)17)7-9-18-12-6-4-5-11(2)10-12/h11-13,16H,3-10H2,1-2H3,(H2,15,17).
What are the key properties of 4-(3-methylcyclohexyl)sulfanyl-2-(propylamino)butanamide?
4-(3-methylcyclohexyl)sulfanyl-2-(propylamino)butanamide has a molecular weight of 272.46 g/mol, XLogP of 2.54, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylcyclohexyl)sulfanyl-2-(propylamino)butanamide is sourced from PubChem (CID 63035288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).