1-hydroxysulfanylethanamine

C2H7NOS — CID 173299141

IUPAC1-hydroxysulfanylethanamine
SMILESCC(N)SO
InChIInChI=1S/C2H7NOS/c1-2(3)5-4/h2,4H,3H2,1H3
InChIKeyRKYFFKOGHQFPLN-UHFFFAOYSA-N
MW93.15 g/mol
LogP0.50
Rot. Bonds1

About 1-hydroxysulfanylethanamine

1-hydroxysulfanylethanamine (PubChem CID 173299141) has the molecular formula C2H7NOS and a molecular weight of 93.15 g/mol. Its IUPAC name is 1-hydroxysulfanylethanamine.

Molecular Properties

Compound Name1-hydroxysulfanylethanamine
PubChem CID173299141
Molecular FormulaC2H7NOS
Molecular Weight93.15 g/mol
Exact Mass93.02
IUPAC Name1-hydroxysulfanylethanamine
SMILESCC(N)SO
InChIInChI=1S/C2H7NOS/c1-2(3)5-4/h2,4H,3H2,1H3
InChIKeyRKYFFKOGHQFPLN-UHFFFAOYSA-N
XLogP0.50
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50093.15
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-amino-2-hydroxysulfanylethanethiol
CID 22801373
2-(Trihydroxy-lambda4-sulfanyl)ethanamine
CID 23530470
2-Hydroxysulfanylethanamine
CID 55289599
3-hydroxysulfanyl-N-iodopropan-1-amine
CID 118028326
3-Hydroxysulfanylpropan-1-amine
CID 124083928
2-hydroxysulfanyl-N-methylethanamine
CID 137386175
2-Hydroxysulfanylethanamine;hydrochloride
CID 141473798
N-[ethyl(dihydroxy)-lambda4-sulfanyl]ethanamine
CID 142211074
Ethane;2-(trihydroxy-lambda4-sulfanyl)ethanamine
CID 142218623
2-[Dihydroxy(methyl)-lambda4-sulfanyl]ethanamine
CID 143891852
3-(Trihydroxy-lambda4-sulfanyl)propan-1-amine
CID 143992139
2-[Hydroxy(dimethyl)-lambda4-sulfanyl]ethanamine
CID 144478018

Frequently Asked Questions

What is the IUPAC name of 1-hydroxysulfanylethanamine?
The IUPAC name of 1-hydroxysulfanylethanamine (CID 173299141) is 1-hydroxysulfanylethanamine.
What is the SMILES notation for 1-hydroxysulfanylethanamine?
The canonical SMILES for 1-hydroxysulfanylethanamine is CC(N)SO.
What is the InChIKey of 1-hydroxysulfanylethanamine?
The InChIKey is RKYFFKOGHQFPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7NOS/c1-2(3)5-4/h2,4H,3H2,1H3.
What are the key properties of 1-hydroxysulfanylethanamine?
1-hydroxysulfanylethanamine has a molecular weight of 93.15 g/mol, XLogP of 0.50, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxysulfanylethanamine is sourced from PubChem (CID 173299141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).