CID 58399089

C3H7NO2S — CID 58399089

IUPAC—
SMILES[CH]CNS(C)(=O)=O
InChIInChI=1S/C3H7NO2S/c1-3-4-7(2,5)6/h1,4H,3H2,2H3
InChIKeyHLEZDBDCTRCPJN-UHFFFAOYSA-N
MW121.16 g/mol
LogP-0.75
Rot. Bonds2

About CID 58399089

CID 58399089 (PubChem CID 58399089) has the molecular formula C3H7NO2S and a molecular weight of 121.16 g/mol.

Molecular Properties

Compound NameCID 58399089
PubChem CID58399089
Molecular FormulaC3H7NO2S
Molecular Weight121.16 g/mol
Exact Mass121.02
IUPAC Name—
SMILES[CH]CNS(C)(=O)=O
InChIInChI=1S/C3H7NO2S/c1-3-4-7(2,5)6/h1,4H,3H2,2H3
InChIKeyHLEZDBDCTRCPJN-UHFFFAOYSA-N
XLogP-0.75
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.16
LogP ≤ 5-0.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N-ethyl-1,1-difluoromethanesulfonamide
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N-(2-fluoroethyl)methanesulfonamide
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Frequently Asked Questions

What is the IUPAC name of CID 58399089?
The IUPAC name of CID 58399089 (CID 58399089) is not available.
What is the SMILES notation for CID 58399089?
The canonical SMILES for CID 58399089 is [CH]CNS(C)(=O)=O.
What is the InChIKey of CID 58399089?
The InChIKey is HLEZDBDCTRCPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO2S/c1-3-4-7(2,5)6/h1,4H,3H2,2H3.
What are the key properties of CID 58399089?
CID 58399089 has a molecular weight of 121.16 g/mol, XLogP of -0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58399089 is sourced from PubChem (CID 58399089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).