1-(sulfanylamino)propan-2-one

C3H7NOS — CID 13149227

IUPAC1-(sulfanylamino)propan-2-one
SMILESCC(=O)CNS
InChIInChI=1S/C3H7NOS/c1-3(5)2-4-6/h4,6H,2H2,1H3
InChIKeyCJHZSYBUPAOIPP-UHFFFAOYSA-N
MW105.16 g/mol
LogP0.01
Rot. Bonds2

About 1-(sulfanylamino)propan-2-one

1-(sulfanylamino)propan-2-one (PubChem CID 13149227) has the molecular formula C3H7NOS and a molecular weight of 105.16 g/mol. Its IUPAC name is 1-(sulfanylamino)propan-2-one.

Molecular Properties

Compound Name1-(sulfanylamino)propan-2-one
PubChem CID13149227
Molecular FormulaC3H7NOS
Molecular Weight105.16 g/mol
Exact Mass105.02
IUPAC Name1-(sulfanylamino)propan-2-one
SMILESCC(=O)CNS
InChIInChI=1S/C3H7NOS/c1-3(5)2-4-6/h4,6H,2H2,1H3
InChIKeyCJHZSYBUPAOIPP-UHFFFAOYSA-N
XLogP0.01
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.16
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(sulfanylamino)propan-2-one?
The IUPAC name of 1-(sulfanylamino)propan-2-one (CID 13149227) is 1-(sulfanylamino)propan-2-one.
What is the SMILES notation for 1-(sulfanylamino)propan-2-one?
The canonical SMILES for 1-(sulfanylamino)propan-2-one is CC(=O)CNS.
What is the InChIKey of 1-(sulfanylamino)propan-2-one?
The InChIKey is CJHZSYBUPAOIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NOS/c1-3(5)2-4-6/h4,6H,2H2,1H3.
What are the key properties of 1-(sulfanylamino)propan-2-one?
1-(sulfanylamino)propan-2-one has a molecular weight of 105.16 g/mol, XLogP of 0.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(sulfanylamino)propan-2-one is sourced from PubChem (CID 13149227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).