[(2S,3S)-3-aminothiiran-2-yl]methanol

C3H7NOS — CID 155928425

IUPAC[(2S,3S)-3-aminothiiran-2-yl]methanol
SMILESN[C@H]1S[C@H]1CO
InChIInChI=1S/C3H7NOS/c4-3-2(1-5)6-3/h2-3,5H,1,4H2/t2-,3-/m0/s1
InChIKeyOXDWNDMAKONNDV-HRFVKAFMSA-N
MW105.16 g/mol
LogP-0.62
Rot. Bonds1

About [(2S,3S)-3-aminothiiran-2-yl]methanol

[(2S,3S)-3-aminothiiran-2-yl]methanol (PubChem CID 155928425) has the molecular formula C3H7NOS and a molecular weight of 105.16 g/mol. Its IUPAC name is [(2S,3S)-3-aminothiiran-2-yl]methanol.

Molecular Properties

Compound Name[(2S,3S)-3-aminothiiran-2-yl]methanol
PubChem CID155928425
Molecular FormulaC3H7NOS
Molecular Weight105.16 g/mol
Exact Mass105.02
IUPAC Name[(2S,3S)-3-aminothiiran-2-yl]methanol
SMILESN[C@H]1S[C@H]1CO
InChIInChI=1S/C3H7NOS/c4-3-2(1-5)6-3/h2-3,5H,1,4H2/t2-,3-/m0/s1
InChIKeyOXDWNDMAKONNDV-HRFVKAFMSA-N
XLogP-0.62
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.16
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze [(2S,3S)-3-aminothiiran-2-yl]methanol 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,3S,4S,5S)-5-(hydroxymethyl)thiolane-2,3,4-triol
CID 57056328
(3S,4S,5R)-3-fluoro-5-(hydroxymethyl)thiolane-2,4-diol
CID 118119140
(2R,3S,4S)-4-fluoro-2-(hydroxymethyl)-5-(methoxymethyl)thiolan-3-ol
CID 89349089
(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-methoxythiane-3,4,5-triol
CID 102166355
(1R,2S,3R,4S,5R,6R)-5-amino-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
CID 162423103
(3S,6S)-2-(hydroxymethyl)-6-sulfanylthiane-3,4-diol
CID 144617204
(2R,3R,5S,6S)-2,3,5-trihydroxy-6-(hydroxymethyl)thian-4-one
CID 130891895
[5-(hydroxymethyl)-2-phenyl-1,3-dithiolan-4-yl]methanol
CID 151184902
[(3R,4S,5R)-2,4-dihydroxy-5-(hydroxymethyl)thiolan-3-yl] hypofluorite
CID 67739794
(1R,2S,3S,5S)-3-amino-5-(hydroxymethyl)cyclopentane-1,2-diol
CID 171920949
(1R,2R,3S,5S)-3-amino-5-(hydroxymethyl)cyclopentane-1,2-diol
CID 18651921
(2S,3R,4R,5S,6R)-6-amino-2-(hydroxymethyl)azepane-3,4,5-triol
CID 11469580

Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-3-aminothiiran-2-yl]methanol?
The IUPAC name of [(2S,3S)-3-aminothiiran-2-yl]methanol (CID 155928425) is [(2S,3S)-3-aminothiiran-2-yl]methanol.
What is the SMILES notation for [(2S,3S)-3-aminothiiran-2-yl]methanol?
The canonical SMILES for [(2S,3S)-3-aminothiiran-2-yl]methanol is N[C@H]1S[C@H]1CO.
What is the InChIKey of [(2S,3S)-3-aminothiiran-2-yl]methanol?
The InChIKey is OXDWNDMAKONNDV-HRFVKAFMSA-N. The full InChI is InChI=1S/C3H7NOS/c4-3-2(1-5)6-3/h2-3,5H,1,4H2/t2-,3-/m0/s1.
What are the key properties of [(2S,3S)-3-aminothiiran-2-yl]methanol?
[(2S,3S)-3-aminothiiran-2-yl]methanol has a molecular weight of 105.16 g/mol, XLogP of -0.62, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-3-aminothiiran-2-yl]methanol is sourced from PubChem (CID 155928425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).