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

C9H18N2OS — CID 91660808

IUPAC(2S)-N-(2-methylsulfanylpropyl)pyrrolidine-2-carboxamide
SMILESCSC(C)CNC(=O)[C@@H]1CCCN1
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)/t7?,8-/m0/s1
InChIKeyOWLBAJTURGFQHF-MQWKRIRWSA-N
MW202.32 g/mol
LogP0.61
Rot. Bonds4

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

(2S)-N-(2-methylsulfanylpropyl)pyrrolidine-2-carboxamide (PubChem CID 91660808) has the molecular formula C9H18N2OS and a molecular weight of 202.32 g/mol. Its IUPAC name is (2S)-N-(2-methylsulfanylpropyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2-methylsulfanylpropyl)pyrrolidine-2-carboxamide
PubChem CID91660808
Molecular FormulaC9H18N2OS
Molecular Weight202.32 g/mol
Exact Mass202.11
IUPAC Name(2S)-N-(2-methylsulfanylpropyl)pyrrolidine-2-carboxamide
SMILESCSC(C)CNC(=O)[C@@H]1CCCN1
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)/t7?,8-/m0/s1
InChIKeyOWLBAJTURGFQHF-MQWKRIRWSA-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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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-methylsulfanylpropyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(2-methylsulfanylpropyl)pyrrolidine-2-carboxamide (CID 91660808) is (2S)-N-(2-methylsulfanylpropyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(2-methylsulfanylpropyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(2-methylsulfanylpropyl)pyrrolidine-2-carboxamide is CSC(C)CNC(=O)[C@@H]1CCCN1.
What is the InChIKey of (2S)-N-(2-methylsulfanylpropyl)pyrrolidine-2-carboxamide?
The InChIKey is OWLBAJTURGFQHF-MQWKRIRWSA-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)/t7?,8-/m0/s1.
What are the key properties of (2S)-N-(2-methylsulfanylpropyl)pyrrolidine-2-carboxamide?
(2S)-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 (2S)-N-(2-methylsulfanylpropyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 91660808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).