(2S)-4-amino-1-sulfanylbutan-2-ol

C4H11NOS — CID 146535668

IUPAC(2S)-4-amino-1-sulfanylbutan-2-ol
SMILESNCC[C@H](O)CS
InChIInChI=1S/C4H11NOS/c5-2-1-4(6)3-7/h4,6-7H,1-3,5H2/t4-/m0/s1
InChIKeyXTEPYRPHDIFGCV-BYPYZUCNSA-N
MW121.21 g/mol
LogP-0.37
Rot. Bonds3

About (2S)-4-amino-1-sulfanylbutan-2-ol

(2S)-4-amino-1-sulfanylbutan-2-ol (PubChem CID 146535668) has the molecular formula C4H11NOS and a molecular weight of 121.21 g/mol. Its IUPAC name is (2S)-4-amino-1-sulfanylbutan-2-ol.

Molecular Properties

Compound Name(2S)-4-amino-1-sulfanylbutan-2-ol
PubChem CID146535668
Molecular FormulaC4H11NOS
Molecular Weight121.21 g/mol
Exact Mass121.06
IUPAC Name(2S)-4-amino-1-sulfanylbutan-2-ol
SMILESNCC[C@H](O)CS
InChIInChI=1S/C4H11NOS/c5-2-1-4(6)3-7/h4,6-7H,1-3,5H2/t4-/m0/s1
InChIKeyXTEPYRPHDIFGCV-BYPYZUCNSA-N
XLogP-0.37
TPSA46.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.21
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4R)-6-aminohexane-1,4-diol
CID 89292424
6-sulfanylhexane-1,5-diol
CID 87070594
4-hydroxy-5-sulfanylpentanoic acid
CID 22119508
4-aminobutane-1,2-diol;ethane;terbium
CID 153386909
5,5-dimethyl-1-sulfanylhexan-2-ol
CID 54380478
1,3-diaminopropan-1-ol
CID 10419133
[(2R)-4-amino-2-hydroxybutyl]-trimethylazanium;chloride;hydrochloride
CID 155821322
1-aminooctan-3-ol
CID 21436343
(4-amino-2-hydroxybutyl)-trimethylazanium;chloride;hydrochloride
CID 3026354
bis((2S)-4-aminobutane-1,2-diol);sulfuric acid
CID 71422701
4-amino-1-(dimethylamino)butan-2-ol;hydrochloride
CID 83967321
1,7-diamino-6-methylheptan-3-ol
CID 88669461

Frequently Asked Questions

What is the IUPAC name of (2S)-4-amino-1-sulfanylbutan-2-ol?
The IUPAC name of (2S)-4-amino-1-sulfanylbutan-2-ol (CID 146535668) is (2S)-4-amino-1-sulfanylbutan-2-ol.
What is the SMILES notation for (2S)-4-amino-1-sulfanylbutan-2-ol?
The canonical SMILES for (2S)-4-amino-1-sulfanylbutan-2-ol is NCC[C@H](O)CS.
What is the InChIKey of (2S)-4-amino-1-sulfanylbutan-2-ol?
The InChIKey is XTEPYRPHDIFGCV-BYPYZUCNSA-N. The full InChI is InChI=1S/C4H11NOS/c5-2-1-4(6)3-7/h4,6-7H,1-3,5H2/t4-/m0/s1.
What are the key properties of (2S)-4-amino-1-sulfanylbutan-2-ol?
(2S)-4-amino-1-sulfanylbutan-2-ol has a molecular weight of 121.21 g/mol, XLogP of -0.37, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-amino-1-sulfanylbutan-2-ol is sourced from PubChem (CID 146535668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).