CID 162306954

C8H13KNO2S2 — CID 162306954

IUPAC—
SMILESCC(C)(C)c1ccc(S(N)(=O)=O)s1.[K]
InChIInChI=1S/C8H13NO2S2.K/c1-8(2,3)6-4-5-7(12-6)13(9,10)11;/h4-5H,1-3H3,(H2,9,10,11);
InChIKeyOPDRBAKIRLHQOF-UHFFFAOYSA-N
MW258.43 g/mol
LogP1.31
Rot. Bonds1

About CID 162306954

CID 162306954 (PubChem CID 162306954) has the molecular formula C8H13KNO2S2 and a molecular weight of 258.43 g/mol.

Molecular Properties

Compound NameCID 162306954
PubChem CID162306954
Molecular FormulaC8H13KNO2S2
Molecular Weight258.43 g/mol
Exact Mass258.00
IUPAC Name—
SMILESCC(C)(C)c1ccc(S(N)(=O)=O)s1.[K]
InChIInChI=1S/C8H13NO2S2.K/c1-8(2,3)6-4-5-7(12-6)13(9,10)11;/h4-5H,1-3H3,(H2,9,10,11);
InChIKeyOPDRBAKIRLHQOF-UHFFFAOYSA-N
XLogP1.31
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 162306954?
The IUPAC name of CID 162306954 (CID 162306954) is not available.
What is the SMILES notation for CID 162306954?
The canonical SMILES for CID 162306954 is CC(C)(C)c1ccc(S(N)(=O)=O)s1.[K].
What is the InChIKey of CID 162306954?
The InChIKey is OPDRBAKIRLHQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2S2.K/c1-8(2,3)6-4-5-7(12-6)13(9,10)11;/h4-5H,1-3H3,(H2,9,10,11);.
What are the key properties of CID 162306954?
CID 162306954 has a molecular weight of 258.43 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162306954 is sourced from PubChem (CID 162306954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).