[(2S,3S)-3-aminothiiran-1-ium-2-yl]methanol

C3H8NOS+ — CID 155928424

IUPAC[(2S,3S)-3-aminothiiran-1-ium-2-yl]methanol
SMILESN[C@H]1[SH+][C@H]1CO
InChIInChI=1S/C3H7NOS/c4-3-2(1-5)6-3/h2-3,5H,1,4H2/p+1/t2-,3-/m0/s1
InChIKeyOXDWNDMAKONNDV-HRFVKAFMSA-O
MW106.17 g/mol
LogP-1.54
Rot. Bonds1

About [(2S,3S)-3-aminothiiran-1-ium-2-yl]methanol

[(2S,3S)-3-aminothiiran-1-ium-2-yl]methanol (PubChem CID 155928424) has the molecular formula C3H8NOS+ and a molecular weight of 106.17 g/mol. Its IUPAC name is [(2S,3S)-3-aminothiiran-1-ium-2-yl]methanol.

Molecular Properties

Compound Name[(2S,3S)-3-aminothiiran-1-ium-2-yl]methanol
PubChem CID155928424
Molecular FormulaC3H8NOS+
Molecular Weight106.17 g/mol
Exact Mass106.03
IUPAC Name[(2S,3S)-3-aminothiiran-1-ium-2-yl]methanol
SMILESN[C@H]1[SH+][C@H]1CO
InChIInChI=1S/C3H7NOS/c4-3-2(1-5)6-3/h2-3,5H,1,4H2/p+1/t2-,3-/m0/s1
InChIKeyOXDWNDMAKONNDV-HRFVKAFMSA-O
XLogP-1.54
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.17
LogP ≤ 5-1.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-3-aminothiiran-1-ium-2-yl]methanol?
The IUPAC name of [(2S,3S)-3-aminothiiran-1-ium-2-yl]methanol (CID 155928424) is [(2S,3S)-3-aminothiiran-1-ium-2-yl]methanol.
What is the SMILES notation for [(2S,3S)-3-aminothiiran-1-ium-2-yl]methanol?
The canonical SMILES for [(2S,3S)-3-aminothiiran-1-ium-2-yl]methanol is N[C@H]1[SH+][C@H]1CO.
What is the InChIKey of [(2S,3S)-3-aminothiiran-1-ium-2-yl]methanol?
The InChIKey is OXDWNDMAKONNDV-HRFVKAFMSA-O. The full InChI is InChI=1S/C3H7NOS/c4-3-2(1-5)6-3/h2-3,5H,1,4H2/p+1/t2-,3-/m0/s1.
What are the key properties of [(2S,3S)-3-aminothiiran-1-ium-2-yl]methanol?
[(2S,3S)-3-aminothiiran-1-ium-2-yl]methanol has a molecular weight of 106.17 g/mol, XLogP of -1.54, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-3-aminothiiran-1-ium-2-yl]methanol is sourced from PubChem (CID 155928424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).