1-(3-methyl-2-sulfanylpentyl)pyrrolidin-2-one

C10H19NOS — CID 141416651

IUPAC1-(3-methyl-2-sulfanylpentyl)pyrrolidin-2-one
SMILESCCC(C)C(S)CN1CCCC1=O
InChIInChI=1S/C10H19NOS/c1-3-8(2)9(13)7-11-6-4-5-10(11)12/h8-9,13H,3-7H2,1-2H3
InChIKeyWKGZAUDZVLATIE-UHFFFAOYSA-N
MW201.33 g/mol
LogP1.95
Rot. Bonds4

About 1-(3-methyl-2-sulfanylpentyl)pyrrolidin-2-one

1-(3-methyl-2-sulfanylpentyl)pyrrolidin-2-one (PubChem CID 141416651) has the molecular formula C10H19NOS and a molecular weight of 201.33 g/mol. Its IUPAC name is 1-(3-methyl-2-sulfanylpentyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3-methyl-2-sulfanylpentyl)pyrrolidin-2-one
PubChem CID141416651
Molecular FormulaC10H19NOS
Molecular Weight201.33 g/mol
Exact Mass201.12
IUPAC Name1-(3-methyl-2-sulfanylpentyl)pyrrolidin-2-one
SMILESCCC(C)C(S)CN1CCCC1=O
InChIInChI=1S/C10H19NOS/c1-3-8(2)9(13)7-11-6-4-5-10(11)12/h8-9,13H,3-7H2,1-2H3
InChIKeyWKGZAUDZVLATIE-UHFFFAOYSA-N
XLogP1.95
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.33
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 1-(3-methyl-2-sulfanylpentyl)pyrrolidin-2-one 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 1-(3-methyl-2-sulfanylpentyl)pyrrolidin-2-one?
The IUPAC name of 1-(3-methyl-2-sulfanylpentyl)pyrrolidin-2-one (CID 141416651) is 1-(3-methyl-2-sulfanylpentyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(3-methyl-2-sulfanylpentyl)pyrrolidin-2-one?
The canonical SMILES for 1-(3-methyl-2-sulfanylpentyl)pyrrolidin-2-one is CCC(C)C(S)CN1CCCC1=O.
What is the InChIKey of 1-(3-methyl-2-sulfanylpentyl)pyrrolidin-2-one?
The InChIKey is WKGZAUDZVLATIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NOS/c1-3-8(2)9(13)7-11-6-4-5-10(11)12/h8-9,13H,3-7H2,1-2H3.
What are the key properties of 1-(3-methyl-2-sulfanylpentyl)pyrrolidin-2-one?
1-(3-methyl-2-sulfanylpentyl)pyrrolidin-2-one has a molecular weight of 201.33 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-2-sulfanylpentyl)pyrrolidin-2-one is sourced from PubChem (CID 141416651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).