CID 88791470

C4H10ClNNaO2S — CID 88791470

IUPAC—
SMILESCC(C)NS(=O)(=O)CCl.[Na]
InChIInChI=1S/C4H10ClNO2S.Na/c1-4(2)6-9(7,8)3-5;/h4,6H,3H2,1-2H3;
InChIKeyNDWWJPUEQVIQLE-UHFFFAOYSA-N
MW194.64 g/mol
LogP0.13
Rot. Bonds3

About CID 88791470

CID 88791470 (PubChem CID 88791470) has the molecular formula C4H10ClNNaO2S and a molecular weight of 194.64 g/mol.

Molecular Properties

Compound NameCID 88791470
PubChem CID88791470
Molecular FormulaC4H10ClNNaO2S
Molecular Weight194.64 g/mol
Exact Mass194.00
IUPAC Name—
SMILESCC(C)NS(=O)(=O)CCl.[Na]
InChIInChI=1S/C4H10ClNO2S.Na/c1-4(2)6-9(7,8)3-5;/h4,6H,3H2,1-2H3;
InChIKeyNDWWJPUEQVIQLE-UHFFFAOYSA-N
XLogP0.13
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.64
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 88791470?
The IUPAC name of CID 88791470 (CID 88791470) is not available.
What is the SMILES notation for CID 88791470?
The canonical SMILES for CID 88791470 is CC(C)NS(=O)(=O)CCl.[Na].
What is the InChIKey of CID 88791470?
The InChIKey is NDWWJPUEQVIQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10ClNO2S.Na/c1-4(2)6-9(7,8)3-5;/h4,6H,3H2,1-2H3;.
What are the key properties of CID 88791470?
CID 88791470 has a molecular weight of 194.64 g/mol, XLogP of 0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88791470 is sourced from PubChem (CID 88791470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).