(3S,4S)-4-methylsulfanylpyrrolidin-3-amine

C5H12N2S — CID 54423186

IUPAC(3S,4S)-4-methylsulfanylpyrrolidin-3-amine
SMILESCS[C@H]1CNC[C@@H]1N
InChIInChI=1S/C5H12N2S/c1-8-5-3-7-2-4(5)6/h4-5,7H,2-3,6H2,1H3/t4-,5-/m0/s1
InChIKeyWCFVFCRNHOCMTJ-WHFBIAKZSA-N
MW132.23 g/mol
LogP-0.35
Rot. Bonds1

About (3S,4S)-4-methylsulfanylpyrrolidin-3-amine

(3S,4S)-4-methylsulfanylpyrrolidin-3-amine (PubChem CID 54423186) has the molecular formula C5H12N2S and a molecular weight of 132.23 g/mol. Its IUPAC name is (3S,4S)-4-methylsulfanylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3S,4S)-4-methylsulfanylpyrrolidin-3-amine
PubChem CID54423186
Molecular FormulaC5H12N2S
Molecular Weight132.23 g/mol
Exact Mass132.07
IUPAC Name(3S,4S)-4-methylsulfanylpyrrolidin-3-amine
SMILESCS[C@H]1CNC[C@@H]1N
InChIInChI=1S/C5H12N2S/c1-8-5-3-7-2-4(5)6/h4-5,7H,2-3,6H2,1H3/t4-,5-/m0/s1
InChIKeyWCFVFCRNHOCMTJ-WHFBIAKZSA-N
XLogP-0.35
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.23
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-methylsulfanylpyrrolidin-3-amine?
The IUPAC name of (3S,4S)-4-methylsulfanylpyrrolidin-3-amine (CID 54423186) is (3S,4S)-4-methylsulfanylpyrrolidin-3-amine.
What is the SMILES notation for (3S,4S)-4-methylsulfanylpyrrolidin-3-amine?
The canonical SMILES for (3S,4S)-4-methylsulfanylpyrrolidin-3-amine is CS[C@H]1CNC[C@@H]1N.
What is the InChIKey of (3S,4S)-4-methylsulfanylpyrrolidin-3-amine?
The InChIKey is WCFVFCRNHOCMTJ-WHFBIAKZSA-N. The full InChI is InChI=1S/C5H12N2S/c1-8-5-3-7-2-4(5)6/h4-5,7H,2-3,6H2,1H3/t4-,5-/m0/s1.
What are the key properties of (3S,4S)-4-methylsulfanylpyrrolidin-3-amine?
(3S,4S)-4-methylsulfanylpyrrolidin-3-amine has a molecular weight of 132.23 g/mol, XLogP of -0.35, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-methylsulfanylpyrrolidin-3-amine is sourced from PubChem (CID 54423186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).