N-cyclohexyl-3-methylsulfanyl-3-pyrrolidin-2-ylpropanamide

C14H26N2OS — CID 22717800

IUPACN-cyclohexyl-3-methylsulfanyl-3-pyrrolidin-2-ylpropanamide
SMILESCSC(CC(=O)NC1CCCCC1)C1CCCN1
InChIInChI=1S/C14H26N2OS/c1-18-13(12-8-5-9-15-12)10-14(17)16-11-6-3-2-4-7-11/h11-13,15H,2-10H2,1H3,(H,16,17)
InChIKeyWGYDKWRGRDKPDW-UHFFFAOYSA-N
MW270.44 g/mol
LogP2.31
Rot. Bonds5

About N-cyclohexyl-3-methylsulfanyl-3-pyrrolidin-2-ylpropanamide

N-cyclohexyl-3-methylsulfanyl-3-pyrrolidin-2-ylpropanamide (PubChem CID 22717800) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is N-cyclohexyl-3-methylsulfanyl-3-pyrrolidin-2-ylpropanamide.

Molecular Properties

Compound NameN-cyclohexyl-3-methylsulfanyl-3-pyrrolidin-2-ylpropanamide
PubChem CID22717800
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC NameN-cyclohexyl-3-methylsulfanyl-3-pyrrolidin-2-ylpropanamide
SMILESCSC(CC(=O)NC1CCCCC1)C1CCCN1
InChIInChI=1S/C14H26N2OS/c1-18-13(12-8-5-9-15-12)10-14(17)16-11-6-3-2-4-7-11/h11-13,15H,2-10H2,1H3,(H,16,17)
InChIKeyWGYDKWRGRDKPDW-UHFFFAOYSA-N
XLogP2.31
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-cyclohexyl-3-methylsulfanyl-3-pyrrolidin-2-ylpropanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-methylsulfanyl-3-pyrrolidin-2-ylpropanamide?
The IUPAC name of N-cyclohexyl-3-methylsulfanyl-3-pyrrolidin-2-ylpropanamide (CID 22717800) is N-cyclohexyl-3-methylsulfanyl-3-pyrrolidin-2-ylpropanamide.
What is the SMILES notation for N-cyclohexyl-3-methylsulfanyl-3-pyrrolidin-2-ylpropanamide?
The canonical SMILES for N-cyclohexyl-3-methylsulfanyl-3-pyrrolidin-2-ylpropanamide is CSC(CC(=O)NC1CCCCC1)C1CCCN1.
What is the InChIKey of N-cyclohexyl-3-methylsulfanyl-3-pyrrolidin-2-ylpropanamide?
The InChIKey is WGYDKWRGRDKPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS/c1-18-13(12-8-5-9-15-12)10-14(17)16-11-6-3-2-4-7-11/h11-13,15H,2-10H2,1H3,(H,16,17).
What are the key properties of N-cyclohexyl-3-methylsulfanyl-3-pyrrolidin-2-ylpropanamide?
N-cyclohexyl-3-methylsulfanyl-3-pyrrolidin-2-ylpropanamide has a molecular weight of 270.44 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-methylsulfanyl-3-pyrrolidin-2-ylpropanamide is sourced from PubChem (CID 22717800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).