1-(sulfanylamino)ethanol

C2H7NOS — CID 57315702

IUPAC1-(sulfanylamino)ethanol
SMILESCC(O)NS
InChIInChI=1S/C2H7NOS/c1-2(4)3-5/h2-5H,1H3
InChIKeyPOODLWQVRKNYSR-UHFFFAOYSA-N
MW93.15 g/mol
LogP-0.24
Rot. Bonds1

About 1-(sulfanylamino)ethanol

1-(sulfanylamino)ethanol (PubChem CID 57315702) has the molecular formula C2H7NOS and a molecular weight of 93.15 g/mol. Its IUPAC name is 1-(sulfanylamino)ethanol.

Molecular Properties

Compound Name1-(sulfanylamino)ethanol
PubChem CID57315702
Molecular FormulaC2H7NOS
Molecular Weight93.15 g/mol
Exact Mass93.02
IUPAC Name1-(sulfanylamino)ethanol
SMILESCC(O)NS
InChIInChI=1S/C2H7NOS/c1-2(4)3-5/h2-5H,1H3
InChIKeyPOODLWQVRKNYSR-UHFFFAOYSA-N
XLogP-0.24
TPSA32.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50093.15
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-propan-2-ylthiohydroxylamine;hydrochloride
CID 163724182
(1S)-1-[[(1S)-1-hydroxyethyl]amino]ethanol
CID 93481820
1-(1-hydroxyethylamino)ethanol
CID 18183743
CID 58943019
CID 58943019
1-(1-hydroxyethylamino)ethanol;hydrochloride
CID 57449436
1-(1-hydroxyethylamino)ethanol;hydrobromide
CID 173051488
1-(methylamino)ethanol;hydroiodide
CID 173051300
N-[(2R)-3-methylbutan-2-yl]thiohydroxylamine
CID 147423787
1-(propan-2-ylamino)ethanol
CID 20976152
nickel;1-sulfanylethanol
CID 174917058
(2S)-3-methyl-2-(sulfanylamino)butan-1-ol
CID 89196586
CID 85354423
CID 85354423

Frequently Asked Questions

What is the IUPAC name of 1-(sulfanylamino)ethanol?
The IUPAC name of 1-(sulfanylamino)ethanol (CID 57315702) is 1-(sulfanylamino)ethanol.
What is the SMILES notation for 1-(sulfanylamino)ethanol?
The canonical SMILES for 1-(sulfanylamino)ethanol is CC(O)NS.
What is the InChIKey of 1-(sulfanylamino)ethanol?
The InChIKey is POODLWQVRKNYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7NOS/c1-2(4)3-5/h2-5H,1H3.
What are the key properties of 1-(sulfanylamino)ethanol?
1-(sulfanylamino)ethanol has a molecular weight of 93.15 g/mol, XLogP of -0.24, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(sulfanylamino)ethanol is sourced from PubChem (CID 57315702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).