N-cyclohexyl-2-pyrrolidin-1-yl-2-sulfanylideneacetamide

C12H20N2OS — CID 2974938

IUPACN-cyclohexyl-2-pyrrolidin-1-yl-2-sulfanylideneacetamide
SMILESO=C(NC1CCCCC1)C(=S)N1CCCC1
InChIInChI=1S/C12H20N2OS/c15-11(12(16)14-8-4-5-9-14)13-10-6-2-1-3-7-10/h10H,1-9H2,(H,13,15)
InChIKeyWGAUTABDHIXZAU-UHFFFAOYSA-N
MW240.37 g/mol
LogP1.86
Rot. Bonds1

About N-cyclohexyl-2-pyrrolidin-1-yl-2-sulfanylideneacetamide

N-cyclohexyl-2-pyrrolidin-1-yl-2-sulfanylideneacetamide (PubChem CID 2974938) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is N-cyclohexyl-2-pyrrolidin-1-yl-2-sulfanylideneacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-pyrrolidin-1-yl-2-sulfanylideneacetamide
PubChem CID2974938
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC NameN-cyclohexyl-2-pyrrolidin-1-yl-2-sulfanylideneacetamide
SMILESO=C(NC1CCCCC1)C(=S)N1CCCC1
InChIInChI=1S/C12H20N2OS/c15-11(12(16)14-8-4-5-9-14)13-10-6-2-1-3-7-10/h10H,1-9H2,(H,13,15)
InChIKeyWGAUTABDHIXZAU-UHFFFAOYSA-N
XLogP1.86
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze N-cyclohexyl-2-pyrrolidin-1-yl-2-sulfanylideneacetamide 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-2-pyrrolidin-1-yl-2-sulfanylideneacetamide?
The IUPAC name of N-cyclohexyl-2-pyrrolidin-1-yl-2-sulfanylideneacetamide (CID 2974938) is N-cyclohexyl-2-pyrrolidin-1-yl-2-sulfanylideneacetamide.
What is the SMILES notation for N-cyclohexyl-2-pyrrolidin-1-yl-2-sulfanylideneacetamide?
The canonical SMILES for N-cyclohexyl-2-pyrrolidin-1-yl-2-sulfanylideneacetamide is O=C(NC1CCCCC1)C(=S)N1CCCC1.
What is the InChIKey of N-cyclohexyl-2-pyrrolidin-1-yl-2-sulfanylideneacetamide?
The InChIKey is WGAUTABDHIXZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c15-11(12(16)14-8-4-5-9-14)13-10-6-2-1-3-7-10/h10H,1-9H2,(H,13,15).
What are the key properties of N-cyclohexyl-2-pyrrolidin-1-yl-2-sulfanylideneacetamide?
N-cyclohexyl-2-pyrrolidin-1-yl-2-sulfanylideneacetamide has a molecular weight of 240.37 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-pyrrolidin-1-yl-2-sulfanylideneacetamide is sourced from PubChem (CID 2974938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).