2-methyl-N-(2-methylsulfanylethyl)pyrrolidine-3-carboxamide

C9H18N2OS — CID 79384103

IUPAC2-methyl-N-(2-methylsulfanylethyl)pyrrolidine-3-carboxamide
SMILESCSCCNC(=O)C1CCNC1C
InChIInChI=1S/C9H18N2OS/c1-7-8(3-4-10-7)9(12)11-5-6-13-2/h7-8,10H,3-6H2,1-2H3,(H,11,12)
InChIKeyCSAXVDHRRIQGQU-UHFFFAOYSA-N
MW202.32 g/mol
LogP0.46
Rot. Bonds4

About 2-methyl-N-(2-methylsulfanylethyl)pyrrolidine-3-carboxamide

2-methyl-N-(2-methylsulfanylethyl)pyrrolidine-3-carboxamide (PubChem CID 79384103) has the molecular formula C9H18N2OS and a molecular weight of 202.32 g/mol. Its IUPAC name is 2-methyl-N-(2-methylsulfanylethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(2-methylsulfanylethyl)pyrrolidine-3-carboxamide
PubChem CID79384103
Molecular FormulaC9H18N2OS
Molecular Weight202.32 g/mol
Exact Mass202.11
IUPAC Name2-methyl-N-(2-methylsulfanylethyl)pyrrolidine-3-carboxamide
SMILESCSCCNC(=O)C1CCNC1C
InChIInChI=1S/C9H18N2OS/c1-7-8(3-4-10-7)9(12)11-5-6-13-2/h7-8,10H,3-6H2,1-2H3,(H,11,12)
InChIKeyCSAXVDHRRIQGQU-UHFFFAOYSA-N
XLogP0.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methyl-N-(2-methylsulfanylethyl)pyrrolidine-3-carboxamide 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 2-methyl-N-(2-methylsulfanylethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 2-methyl-N-(2-methylsulfanylethyl)pyrrolidine-3-carboxamide (CID 79384103) is 2-methyl-N-(2-methylsulfanylethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(2-methylsulfanylethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 2-methyl-N-(2-methylsulfanylethyl)pyrrolidine-3-carboxamide is CSCCNC(=O)C1CCNC1C.
What is the InChIKey of 2-methyl-N-(2-methylsulfanylethyl)pyrrolidine-3-carboxamide?
The InChIKey is CSAXVDHRRIQGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2OS/c1-7-8(3-4-10-7)9(12)11-5-6-13-2/h7-8,10H,3-6H2,1-2H3,(H,11,12).
What are the key properties of 2-methyl-N-(2-methylsulfanylethyl)pyrrolidine-3-carboxamide?
2-methyl-N-(2-methylsulfanylethyl)pyrrolidine-3-carboxamide has a molecular weight of 202.32 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylsulfanylethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 79384103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).