(4S)-3-amino-4-sulfanylpentan-2-one

C5H11NOS — CID 118374887

IUPAC(4S)-3-amino-4-sulfanylpentan-2-one
SMILESCC(=O)C(N)[C@H](C)S
InChIInChI=1S/C5H11NOS/c1-3(7)5(6)4(2)8/h4-5,8H,6H2,1-2H3/t4-,5?/m0/s1
InChIKeyARTGSDPCTCELHO-ROLXFIACSA-N
MW133.22 g/mol
LogP0.22
Rot. Bonds2

About (4S)-3-amino-4-sulfanylpentan-2-one

(4S)-3-amino-4-sulfanylpentan-2-one (PubChem CID 118374887) has the molecular formula C5H11NOS and a molecular weight of 133.22 g/mol. Its IUPAC name is (4S)-3-amino-4-sulfanylpentan-2-one.

Molecular Properties

Compound Name(4S)-3-amino-4-sulfanylpentan-2-one
PubChem CID118374887
Molecular FormulaC5H11NOS
Molecular Weight133.22 g/mol
Exact Mass133.06
IUPAC Name(4S)-3-amino-4-sulfanylpentan-2-one
SMILESCC(=O)C(N)[C@H](C)S
InChIInChI=1S/C5H11NOS/c1-3(7)5(6)4(2)8/h4-5,8H,6H2,1-2H3/t4-,5?/m0/s1
InChIKeyARTGSDPCTCELHO-ROLXFIACSA-N
XLogP0.22
TPSA43.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.22
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-amino-4-sulfanylpentan-2-one?
The IUPAC name of (4S)-3-amino-4-sulfanylpentan-2-one (CID 118374887) is (4S)-3-amino-4-sulfanylpentan-2-one.
What is the SMILES notation for (4S)-3-amino-4-sulfanylpentan-2-one?
The canonical SMILES for (4S)-3-amino-4-sulfanylpentan-2-one is CC(=O)C(N)[C@H](C)S.
What is the InChIKey of (4S)-3-amino-4-sulfanylpentan-2-one?
The InChIKey is ARTGSDPCTCELHO-ROLXFIACSA-N. The full InChI is InChI=1S/C5H11NOS/c1-3(7)5(6)4(2)8/h4-5,8H,6H2,1-2H3/t4-,5?/m0/s1.
What are the key properties of (4S)-3-amino-4-sulfanylpentan-2-one?
(4S)-3-amino-4-sulfanylpentan-2-one has a molecular weight of 133.22 g/mol, XLogP of 0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-amino-4-sulfanylpentan-2-one is sourced from PubChem (CID 118374887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).