CID 139243959

C3H7NO2S — CID 139243959

IUPAC—
SMILES[CH2]C[N]S(C)(=O)=O
InChIInChI=1S/C3H7NO2S/c1-3-4-7(2,5)6/h1,3H2,2H3
InChIKeyKBUSPPYZBAWMHH-UHFFFAOYSA-N
MW121.16 g/mol
LogP-0.62
Rot. Bonds2

About CID 139243959

CID 139243959 (PubChem CID 139243959) has the molecular formula C3H7NO2S and a molecular weight of 121.16 g/mol.

Molecular Properties

Compound NameCID 139243959
PubChem CID139243959
Molecular FormulaC3H7NO2S
Molecular Weight121.16 g/mol
Exact Mass121.02
IUPAC Name—
SMILES[CH2]C[N]S(C)(=O)=O
InChIInChI=1S/C3H7NO2S/c1-3-4-7(2,5)6/h1,3H2,2H3
InChIKeyKBUSPPYZBAWMHH-UHFFFAOYSA-N
XLogP-0.62
TPSA48.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.16
LogP ≤ 5-0.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 139243959?
The IUPAC name of CID 139243959 (CID 139243959) is not available.
What is the SMILES notation for CID 139243959?
The canonical SMILES for CID 139243959 is [CH2]C[N]S(C)(=O)=O.
What is the InChIKey of CID 139243959?
The InChIKey is KBUSPPYZBAWMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO2S/c1-3-4-7(2,5)6/h1,3H2,2H3.
What are the key properties of CID 139243959?
CID 139243959 has a molecular weight of 121.16 g/mol, XLogP of -0.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 139243959 is sourced from PubChem (CID 139243959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).