(2S)-N-(3-methylsulfanylbutyl)pyrrolidine-2-carboxamide

C10H20N2OS — CID 103796220

IUPAC(2S)-N-(3-methylsulfanylbutyl)pyrrolidine-2-carboxamide
SMILESCSC(C)CCNC(=O)[C@@H]1CCCN1
InChIInChI=1S/C10H20N2OS/c1-8(14-2)5-7-12-10(13)9-4-3-6-11-9/h8-9,11H,3-7H2,1-2H3,(H,12,13)/t8?,9-/m0/s1
InChIKeyNBCDULSVXLOXOC-GKAPJAKFSA-N
MW216.35 g/mol
LogP1.00
Rot. Bonds5

About (2S)-N-(3-methylsulfanylbutyl)pyrrolidine-2-carboxamide

(2S)-N-(3-methylsulfanylbutyl)pyrrolidine-2-carboxamide (PubChem CID 103796220) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is (2S)-N-(3-methylsulfanylbutyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(3-methylsulfanylbutyl)pyrrolidine-2-carboxamide
PubChem CID103796220
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC Name(2S)-N-(3-methylsulfanylbutyl)pyrrolidine-2-carboxamide
SMILESCSC(C)CCNC(=O)[C@@H]1CCCN1
InChIInChI=1S/C10H20N2OS/c1-8(14-2)5-7-12-10(13)9-4-3-6-11-9/h8-9,11H,3-7H2,1-2H3,(H,12,13)/t8?,9-/m0/s1
InChIKeyNBCDULSVXLOXOC-GKAPJAKFSA-N
XLogP1.00
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-N-(3-methylsulfanylbutyl)pyrrolidine-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

(2S)-N-(3-methylsulfanylbutyl)piperidine-2-carboxamide
CID 103810225
N-(2-methylsulfanylpropyl)pyrrolidine-2-carboxamide
CID 115976802
(2R)-N-(3-hydroxybutyl)piperidine-2-carboxamide
CID 103808747
(2S)-N-[2-(2-methylpropanoylamino)ethyl]pyrrolidine-2-carboxamide
CID 61249248
N-propylpyrrolidine-2-carboxamide
CID 4984185
N-(3-methylsulfanylbutyl)piperidine-4-carboxamide
CID 115734040
(2S)-N-(3-hydroxy-4-methoxybutyl)pyrrolidine-2-carboxamide
CID 106247580
N-(7-methyloctyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119263597
3,3-dimethyl-N-(3-methylsulfanylbutyl)piperidine-2-carboxamide
CID 114084303
(2S)-N-(3-hydroxypentyl)piperidine-2-carboxamide
CID 103810229
(2S)-N-[2-[2-[[(2S)-pyrrolidine-2-carbonyl]amino]ethyldisulfanyl]ethyl]pyrrolidine-2-carboxamide
CID 11725207
(2R)-N-(3-methylsulfinylbutyl)piperidine-2-carboxamide
CID 103813133

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-methylsulfanylbutyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(3-methylsulfanylbutyl)pyrrolidine-2-carboxamide (CID 103796220) is (2S)-N-(3-methylsulfanylbutyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(3-methylsulfanylbutyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(3-methylsulfanylbutyl)pyrrolidine-2-carboxamide is CSC(C)CCNC(=O)[C@@H]1CCCN1.
What is the InChIKey of (2S)-N-(3-methylsulfanylbutyl)pyrrolidine-2-carboxamide?
The InChIKey is NBCDULSVXLOXOC-GKAPJAKFSA-N. The full InChI is InChI=1S/C10H20N2OS/c1-8(14-2)5-7-12-10(13)9-4-3-6-11-9/h8-9,11H,3-7H2,1-2H3,(H,12,13)/t8?,9-/m0/s1.
What are the key properties of (2S)-N-(3-methylsulfanylbutyl)pyrrolidine-2-carboxamide?
(2S)-N-(3-methylsulfanylbutyl)pyrrolidine-2-carboxamide has a molecular weight of 216.35 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-methylsulfanylbutyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 103796220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).