(2S)-2-amino-3-sulfanylbutan-1-ol

C4H11NOS — CID 151475591

IUPAC(2S)-2-amino-3-sulfanylbutan-1-ol
SMILESCC(S)[C@@H](N)CO
InChIInChI=1S/C4H11NOS/c1-3(7)4(5)2-6/h3-4,6-7H,2,5H2,1H3/t3?,4-/m0/s1
InChIKeyPLJHWBJSUXKMKL-BKLSDQPFSA-N
MW121.20 g/mol
LogP-0.38
Rot. Bonds2

About (2S)-2-amino-3-sulfanylbutan-1-ol

(2S)-2-amino-3-sulfanylbutan-1-ol (PubChem CID 151475591) has the molecular formula C4H11NOS and a molecular weight of 121.20 g/mol. Its IUPAC name is (2S)-2-amino-3-sulfanylbutan-1-ol.

Molecular Properties

Compound Name(2S)-2-amino-3-sulfanylbutan-1-ol
PubChem CID151475591
Molecular FormulaC4H11NOS
Molecular Weight121.20 g/mol
Exact Mass121.06
IUPAC Name(2S)-2-amino-3-sulfanylbutan-1-ol
SMILESCC(S)[C@@H](N)CO
InChIInChI=1S/C4H11NOS/c1-3(7)4(5)2-6/h3-4,6-7H,2,5H2,1H3/t3?,4-/m0/s1
InChIKeyPLJHWBJSUXKMKL-BKLSDQPFSA-N
XLogP-0.38
TPSA46.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.20
LogP ≤ 5-0.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2S)-2-amino-3-sulfanylbutan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-amino-3-methylbutan-1-ol;2-amino-3-methylbutan-1-ol
CID 87115699
2-aminopropan-1-ol;hydrofluoride
CID 22617394
2-amino-3-sulfanylpentan-1-ol
CID 123482040
3-amino-4-sulfanylpentanoic acid
CID 57282100
(2R,3S)-2-methyl-3-sulfanylbutan-1-ol
CID 10154043
(3R)-2-methyl-3-sulfanylbutan-1-ol
CID 21355819
(2S)-2-methyl-3-sulfanylbutan-1-ol
CID 59085195
2-amino-3-(methylamino)butan-1-ol
CID 21416499
2-amino-3-methylpent-4-yn-1-ol
CID 123553773
(2S,3S)-2-amino-4,4,4-trifluoro-3-methylbutan-1-ol
CID 42632354
(2R)-2-amino-3-ethylpentan-1-ol;hydrochloride
CID 176655743
(2S,3R)-2-aminopentane-1,3-diol
CID 44561573

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-sulfanylbutan-1-ol?
The IUPAC name of (2S)-2-amino-3-sulfanylbutan-1-ol (CID 151475591) is (2S)-2-amino-3-sulfanylbutan-1-ol.
What is the SMILES notation for (2S)-2-amino-3-sulfanylbutan-1-ol?
The canonical SMILES for (2S)-2-amino-3-sulfanylbutan-1-ol is CC(S)[C@@H](N)CO.
What is the InChIKey of (2S)-2-amino-3-sulfanylbutan-1-ol?
The InChIKey is PLJHWBJSUXKMKL-BKLSDQPFSA-N. The full InChI is InChI=1S/C4H11NOS/c1-3(7)4(5)2-6/h3-4,6-7H,2,5H2,1H3/t3?,4-/m0/s1.
What are the key properties of (2S)-2-amino-3-sulfanylbutan-1-ol?
(2S)-2-amino-3-sulfanylbutan-1-ol has a molecular weight of 121.20 g/mol, XLogP of -0.38, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-sulfanylbutan-1-ol is sourced from PubChem (CID 151475591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).