CID 160808484

C3H9NNaO2S — CID 160808484

IUPAC—
SMILESCCCS(N)(=O)=O.[Na]
InChIInChI=1S/C3H9NO2S.Na/c1-2-3-7(4,5)6;/h2-3H2,1H3,(H2,4,5,6);
InChIKeySDZVQNCINFNWIB-UHFFFAOYSA-N
MW146.17 g/mol
LogP-0.70
Rot. Bonds2

About CID 160808484

CID 160808484 (PubChem CID 160808484) has the molecular formula C3H9NNaO2S and a molecular weight of 146.17 g/mol.

Molecular Properties

Compound NameCID 160808484
PubChem CID160808484
Molecular FormulaC3H9NNaO2S
Molecular Weight146.17 g/mol
Exact Mass146.03
IUPAC Name—
SMILESCCCS(N)(=O)=O.[Na]
InChIInChI=1S/C3H9NO2S.Na/c1-2-3-7(4,5)6;/h2-3H2,1H3,(H2,4,5,6);
InChIKeySDZVQNCINFNWIB-UHFFFAOYSA-N
XLogP-0.70
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.17
LogP ≤ 5-0.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 160808484?
The IUPAC name of CID 160808484 (CID 160808484) is not available.
What is the SMILES notation for CID 160808484?
The canonical SMILES for CID 160808484 is CCCS(N)(=O)=O.[Na].
What is the InChIKey of CID 160808484?
The InChIKey is SDZVQNCINFNWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9NO2S.Na/c1-2-3-7(4,5)6;/h2-3H2,1H3,(H2,4,5,6);.
What are the key properties of CID 160808484?
CID 160808484 has a molecular weight of 146.17 g/mol, XLogP of -0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 160808484 is sourced from PubChem (CID 160808484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).