CID 88791243

C4H11NNaO2S — CID 88791243

IUPAC—
SMILESCC(C)NS(C)(=O)=O.[Na]
InChIInChI=1S/C4H11NO2S.Na/c1-4(2)5-8(3,6)7;/h4-5H,1-3H3;
InChIKeyPJXSKELWKBRJGL-UHFFFAOYSA-N
MW160.19 g/mol
LogP-0.44
Rot. Bonds2

About CID 88791243

CID 88791243 (PubChem CID 88791243) has the molecular formula C4H11NNaO2S and a molecular weight of 160.19 g/mol.

Molecular Properties

Compound NameCID 88791243
PubChem CID88791243
Molecular FormulaC4H11NNaO2S
Molecular Weight160.19 g/mol
Exact Mass160.04
IUPAC Name—
SMILESCC(C)NS(C)(=O)=O.[Na]
InChIInChI=1S/C4H11NO2S.Na/c1-4(2)5-8(3,6)7;/h4-5H,1-3H3;
InChIKeyPJXSKELWKBRJGL-UHFFFAOYSA-N
XLogP-0.44
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.19
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 88791243?
The IUPAC name of CID 88791243 (CID 88791243) is not available.
What is the SMILES notation for CID 88791243?
The canonical SMILES for CID 88791243 is CC(C)NS(C)(=O)=O.[Na].
What is the InChIKey of CID 88791243?
The InChIKey is PJXSKELWKBRJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO2S.Na/c1-4(2)5-8(3,6)7;/h4-5H,1-3H3;.
What are the key properties of CID 88791243?
CID 88791243 has a molecular weight of 160.19 g/mol, XLogP of -0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88791243 is sourced from PubChem (CID 88791243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).