N-(2-methylsulfanylpropyl)pyrrolidine-2-carboxamide

C9H18N2OS — CID 115976802

IUPACN-(2-methylsulfanylpropyl)pyrrolidine-2-carboxamide
SMILESCSC(C)CNC(=O)C1CCCN1
InChIInChI=1S/C9H18N2OS/c1-7(13-2)6-11-9(12)8-4-3-5-10-8/h7-8,10H,3-6H2,1-2H3,(H,11,12)
InChIKeyOWLBAJTURGFQHF-UHFFFAOYSA-N
MW202.32 g/mol
LogP0.61
Rot. Bonds4

About N-(2-methylsulfanylpropyl)pyrrolidine-2-carboxamide

N-(2-methylsulfanylpropyl)pyrrolidine-2-carboxamide (PubChem CID 115976802) has the molecular formula C9H18N2OS and a molecular weight of 202.32 g/mol. Its IUPAC name is N-(2-methylsulfanylpropyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-methylsulfanylpropyl)pyrrolidine-2-carboxamide
PubChem CID115976802
Molecular FormulaC9H18N2OS
Molecular Weight202.32 g/mol
Exact Mass202.11
IUPAC NameN-(2-methylsulfanylpropyl)pyrrolidine-2-carboxamide
SMILESCSC(C)CNC(=O)C1CCCN1
InChIInChI=1S/C9H18N2OS/c1-7(13-2)6-11-9(12)8-4-3-5-10-8/h7-8,10H,3-6H2,1-2H3,(H,11,12)
InChIKeyOWLBAJTURGFQHF-UHFFFAOYSA-N
XLogP0.61
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 ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(3-methylsulfanylbutyl)pyrrolidine-2-carboxamide
CID 103796220
N-(2,3-dimethylbutyl)pyrrolidine-2-carboxamide
CID 64597278
4-methyl-N-(2-methylsulfanylpropyl)piperidine-2-carboxamide
CID 114424521
(2S)-N-(3-methylsulfanylbutyl)piperidine-2-carboxamide
CID 103810225
(2S)-N-[(2R)-2-(1-hydroxyethylamino)propyl]pyrrolidine-2-carboxamide
CID 148575646
N-(2-cyclopropylpropyl)pyrrolidine-2-carboxamide
CID 115591240
N-(2-phenylsulfanylpropyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119335474
(3R)-N-[(2R)-2-methylsulfanylpropyl]morpholine-3-carboxamide
CID 99596683
N-[2-(4-bromophenyl)sulfanylpropyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119322845
N-(2,2-dimethoxyethyl)pyrrolidine-2-carboxamide
CID 61275078
N-(2-aminopropyl)piperidine-2-carboxamide;hydrochloride
CID 130685962
(2S)-N-(2-methoxypropyl)piperidine-2-carboxamide
CID 102695060

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanylpropyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(2-methylsulfanylpropyl)pyrrolidine-2-carboxamide (CID 115976802) is N-(2-methylsulfanylpropyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-methylsulfanylpropyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-methylsulfanylpropyl)pyrrolidine-2-carboxamide is CSC(C)CNC(=O)C1CCCN1.
What is the InChIKey of N-(2-methylsulfanylpropyl)pyrrolidine-2-carboxamide?
The InChIKey is OWLBAJTURGFQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2OS/c1-7(13-2)6-11-9(12)8-4-3-5-10-8/h7-8,10H,3-6H2,1-2H3,(H,11,12).
What are the key properties of N-(2-methylsulfanylpropyl)pyrrolidine-2-carboxamide?
N-(2-methylsulfanylpropyl)pyrrolidine-2-carboxamide has a molecular weight of 202.32 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanylpropyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 115976802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).