2-methylcyclohexane-1-sulfonamide

C7H15NO2S — CID 21267710

IUPAC2-methylcyclohexane-1-sulfonamide
SMILESCC1CCCCC1S(N)(=O)=O
InChIInChI=1S/C7H15NO2S/c1-6-4-2-3-5-7(6)11(8,9)10/h6-7H,2-5H2,1H3,(H2,8,9,10)
InChIKeyHHYQPFTZIQGSHI-UHFFFAOYSA-N
MW177.27 g/mol
LogP0.85
Rot. Bonds1

About 2-methylcyclohexane-1-sulfonamide

2-methylcyclohexane-1-sulfonamide (PubChem CID 21267710) has the molecular formula C7H15NO2S and a molecular weight of 177.27 g/mol. Its IUPAC name is 2-methylcyclohexane-1-sulfonamide.

Molecular Properties

Compound Name2-methylcyclohexane-1-sulfonamide
PubChem CID21267710
Molecular FormulaC7H15NO2S
Molecular Weight177.27 g/mol
Exact Mass177.08
IUPAC Name2-methylcyclohexane-1-sulfonamide
SMILESCC1CCCCC1S(N)(=O)=O
InChIInChI=1S/C7H15NO2S/c1-6-4-2-3-5-7(6)11(8,9)10/h6-7H,2-5H2,1H3,(H2,8,9,10)
InChIKeyHHYQPFTZIQGSHI-UHFFFAOYSA-N
XLogP0.85
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methylcyclohexane-1-sulfonamide?
The IUPAC name of 2-methylcyclohexane-1-sulfonamide (CID 21267710) is 2-methylcyclohexane-1-sulfonamide.
What is the SMILES notation for 2-methylcyclohexane-1-sulfonamide?
The canonical SMILES for 2-methylcyclohexane-1-sulfonamide is CC1CCCCC1S(N)(=O)=O.
What is the InChIKey of 2-methylcyclohexane-1-sulfonamide?
The InChIKey is HHYQPFTZIQGSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2S/c1-6-4-2-3-5-7(6)11(8,9)10/h6-7H,2-5H2,1H3,(H2,8,9,10).
What are the key properties of 2-methylcyclohexane-1-sulfonamide?
2-methylcyclohexane-1-sulfonamide has a molecular weight of 177.27 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylcyclohexane-1-sulfonamide is sourced from PubChem (CID 21267710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).