CID 88791504

C3H9NNaO2S — CID 88791504

IUPAC—
SMILESCCNS(C)(=O)=O.[Na]
InChIInChI=1S/C3H9NO2S.Na/c1-3-4-7(2,5)6;/h4H,3H2,1-2H3;
InChIKeyHIQPALMZUIGFFS-UHFFFAOYSA-N
MW146.17 g/mol
LogP-0.83
Rot. Bonds2

About CID 88791504

CID 88791504 (PubChem CID 88791504) has the molecular formula C3H9NNaO2S and a molecular weight of 146.17 g/mol.

Molecular Properties

Compound NameCID 88791504
PubChem CID88791504
Molecular FormulaC3H9NNaO2S
Molecular Weight146.17 g/mol
Exact Mass146.03
IUPAC Name—
SMILESCCNS(C)(=O)=O.[Na]
InChIInChI=1S/C3H9NO2S.Na/c1-3-4-7(2,5)6;/h4H,3H2,1-2H3;
InChIKeyHIQPALMZUIGFFS-UHFFFAOYSA-N
XLogP-0.83
TPSA46.17 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 ≤ 5-0.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N-(2-aminoethyl)methanesulfonamide hydrochloride
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N-methylsulfonylsulfanylethanamine
CID 87551065
N-(2-fluoroethyl)methanesulfonamide
CID 57549171
Methanesulfonic acid--ethanamine (1/1)
CID 71357992
N-ethyl-1-fluoromethanesulfonamide
CID 89091332

Frequently Asked Questions

What is the IUPAC name of CID 88791504?
The IUPAC name of CID 88791504 (CID 88791504) is not available.
What is the SMILES notation for CID 88791504?
The canonical SMILES for CID 88791504 is CCNS(C)(=O)=O.[Na].
What is the InChIKey of CID 88791504?
The InChIKey is HIQPALMZUIGFFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9NO2S.Na/c1-3-4-7(2,5)6;/h4H,3H2,1-2H3;.
What are the key properties of CID 88791504?
CID 88791504 has a molecular weight of 146.17 g/mol, XLogP of -0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88791504 is sourced from PubChem (CID 88791504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).