N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-2-pyrimidin-2-ylsulfanylacetamide

C17H24N4O2S — CID 45245521

IUPACN-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-2-pyrimidin-2-ylsulfanylacetamide
SMILESO=C(CSc1ncccn1)NC1CC(=O)N(CC2CCCCC2)C1
InChIInChI=1S/C17H24N4O2S/c22-15(12-24-17-18-7-4-8-19-17)20-14-9-16(23)21(11-14)10-13-5-2-1-3-6-13/h4,7-8,13-14H,1-3,5-6,9-12H2,(H,20,22)
InChIKeyPJNVKEWZDNDDIO-UHFFFAOYSA-N
MW348.47 g/mol
LogP1.87
Rot. Bonds6

About N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-2-pyrimidin-2-ylsulfanylacetamide

N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-2-pyrimidin-2-ylsulfanylacetamide (PubChem CID 45245521) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-2-pyrimidin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-2-pyrimidin-2-ylsulfanylacetamide
PubChem CID45245521
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC NameN-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-2-pyrimidin-2-ylsulfanylacetamide
SMILESO=C(CSc1ncccn1)NC1CC(=O)N(CC2CCCCC2)C1
InChIInChI=1S/C17H24N4O2S/c22-15(12-24-17-18-7-4-8-19-17)20-14-9-16(23)21(11-14)10-13-5-2-1-3-6-13/h4,7-8,13-14H,1-3,5-6,9-12H2,(H,20,22)
InChIKeyPJNVKEWZDNDDIO-UHFFFAOYSA-N
XLogP1.87
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-2-pyrimidin-2-ylsulfanylacetamide 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-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-2-pyrimidin-2-ylsulfanylacetamide?
The IUPAC name of N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-2-pyrimidin-2-ylsulfanylacetamide (CID 45245521) is N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-2-pyrimidin-2-ylsulfanylacetamide.
What is the SMILES notation for N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-2-pyrimidin-2-ylsulfanylacetamide?
The canonical SMILES for N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-2-pyrimidin-2-ylsulfanylacetamide is O=C(CSc1ncccn1)NC1CC(=O)N(CC2CCCCC2)C1.
What is the InChIKey of N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-2-pyrimidin-2-ylsulfanylacetamide?
The InChIKey is PJNVKEWZDNDDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S/c22-15(12-24-17-18-7-4-8-19-17)20-14-9-16(23)21(11-14)10-13-5-2-1-3-6-13/h4,7-8,13-14H,1-3,5-6,9-12H2,(H,20,22).
What are the key properties of N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-2-pyrimidin-2-ylsulfanylacetamide?
N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-2-pyrimidin-2-ylsulfanylacetamide has a molecular weight of 348.47 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-2-pyrimidin-2-ylsulfanylacetamide is sourced from PubChem (CID 45245521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).