(2S)-2-amino-1-sulfanylpentan-3-one

C5H11NOS — CID 71474608

IUPAC(2S)-2-amino-1-sulfanylpentan-3-one
SMILESCCC(=O)[C@H](N)CS
InChIInChI=1S/C5H11NOS/c1-2-5(7)4(6)3-8/h4,8H,2-3,6H2,1H3/t4-/m1/s1
InChIKeyMBDPKIFGFGVAAP-SCSAIBSYSA-N
MW133.22 g/mol
LogP0.22
Rot. Bonds3

About (2S)-2-amino-1-sulfanylpentan-3-one

(2S)-2-amino-1-sulfanylpentan-3-one (PubChem CID 71474608) has the molecular formula C5H11NOS and a molecular weight of 133.22 g/mol. Its IUPAC name is (2S)-2-amino-1-sulfanylpentan-3-one.

Molecular Properties

Compound Name(2S)-2-amino-1-sulfanylpentan-3-one
PubChem CID71474608
Molecular FormulaC5H11NOS
Molecular Weight133.22 g/mol
Exact Mass133.06
IUPAC Name(2S)-2-amino-1-sulfanylpentan-3-one
SMILESCCC(=O)[C@H](N)CS
InChIInChI=1S/C5H11NOS/c1-2-5(7)4(6)3-8/h4,8H,2-3,6H2,1H3/t4-/m1/s1
InChIKeyMBDPKIFGFGVAAP-SCSAIBSYSA-N
XLogP0.22
TPSA43.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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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Related Compounds

2-amino-1-sulfanylpentan-3-one
CID 59888433
(2R)-2-amino-1-hydroxypentan-3-one
CID 146364996
(2S)-1,2-diaminopentan-3-one
CID 88560983
(2R)-2-amino-5,5-dimethyl-1-sulfanylheptan-3-one
CID 89002752
(3R)-3-amino-4-oxohexanamide
CID 139478456
4-aminoheptan-3-one;ethane
CID 143359235
(4R)-4-amino-3-oxo-5-sulfanylpentanoic acid
CID 173235245
(3R)-3-amino-4-sulfanylbutan-2-one;methane
CID 160825697
2-amino-3-sulfanylpropanoic acid;propane-1-thiol
CID 89239832
2-(3-amino-4-oxohexyl)guanidine
CID 91590692
(2R)-2-amino-3-sulfanylpropanoic acid;2-amino-3-sulfanylpropanoic acid
CID 87266348
(2S)-2-amino-3-sulfanylpropanoic acid;2-amino-3-sulfanylpropanoic acid
CID 138731668

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-sulfanylpentan-3-one?
The IUPAC name of (2S)-2-amino-1-sulfanylpentan-3-one (CID 71474608) is (2S)-2-amino-1-sulfanylpentan-3-one.
What is the SMILES notation for (2S)-2-amino-1-sulfanylpentan-3-one?
The canonical SMILES for (2S)-2-amino-1-sulfanylpentan-3-one is CCC(=O)[C@H](N)CS.
What is the InChIKey of (2S)-2-amino-1-sulfanylpentan-3-one?
The InChIKey is MBDPKIFGFGVAAP-SCSAIBSYSA-N. The full InChI is InChI=1S/C5H11NOS/c1-2-5(7)4(6)3-8/h4,8H,2-3,6H2,1H3/t4-/m1/s1.
What are the key properties of (2S)-2-amino-1-sulfanylpentan-3-one?
(2S)-2-amino-1-sulfanylpentan-3-one has a molecular weight of 133.22 g/mol, XLogP of 0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-sulfanylpentan-3-one is sourced from PubChem (CID 71474608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).