CID 67861960

C12H17KNO2S — CID 67861960

IUPAC—
SMILESNS(=O)(=O)c1ccc(C2CCCCC2)cc1.[K]
InChIInChI=1S/C12H17NO2S.K/c13-16(14,15)12-8-6-11(7-9-12)10-4-2-1-3-5-10;/h6-10H,1-5H2,(H2,13,14,15);
InChIKeyVNDBNROBFQXWQQ-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.00
Rot. Bonds2

About CID 67861960

CID 67861960 (PubChem CID 67861960) has the molecular formula C12H17KNO2S and a molecular weight of 278.44 g/mol.

Molecular Properties

Compound NameCID 67861960
PubChem CID67861960
Molecular FormulaC12H17KNO2S
Molecular Weight278.44 g/mol
Exact Mass278.06
IUPAC Name—
SMILESNS(=O)(=O)c1ccc(C2CCCCC2)cc1.[K]
InChIInChI=1S/C12H17NO2S.K/c13-16(14,15)12-8-6-11(7-9-12)10-4-2-1-3-5-10;/h6-10H,1-5H2,(H2,13,14,15);
InChIKeyVNDBNROBFQXWQQ-UHFFFAOYSA-N
XLogP2.00
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 43164525
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1-(4-cyclohexylphenyl)sulfonyl-4-ethylsulfonylpiperazine
CID 60568104
[1-(4-cyclohexylphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of CID 67861960?
The IUPAC name of CID 67861960 (CID 67861960) is not available.
What is the SMILES notation for CID 67861960?
The canonical SMILES for CID 67861960 is NS(=O)(=O)c1ccc(C2CCCCC2)cc1.[K].
What is the InChIKey of CID 67861960?
The InChIKey is VNDBNROBFQXWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S.K/c13-16(14,15)12-8-6-11(7-9-12)10-4-2-1-3-5-10;/h6-10H,1-5H2,(H2,13,14,15);.
What are the key properties of CID 67861960?
CID 67861960 has a molecular weight of 278.44 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67861960 is sourced from PubChem (CID 67861960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).