4-tert-butyl-N-methylcyclohexane-1-sulfonamide

C11H23NO2S — CID 165446432

IUPAC4-tert-butyl-N-methylcyclohexane-1-sulfonamide
SMILESCNS(=O)(=O)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C11H23NO2S/c1-11(2,3)9-5-7-10(8-6-9)15(13,14)12-4/h9-10,12H,5-8H2,1-4H3
InChIKeyXOXXBCKRXSDMOU-UHFFFAOYSA-N
MW233.38 g/mol
LogP2.14
Rot. Bonds2

About 4-tert-butyl-N-methylcyclohexane-1-sulfonamide

4-tert-butyl-N-methylcyclohexane-1-sulfonamide (PubChem CID 165446432) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is 4-tert-butyl-N-methylcyclohexane-1-sulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-methylcyclohexane-1-sulfonamide
PubChem CID165446432
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC Name4-tert-butyl-N-methylcyclohexane-1-sulfonamide
SMILESCNS(=O)(=O)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C11H23NO2S/c1-11(2,3)9-5-7-10(8-6-9)15(13,14)12-4/h9-10,12H,5-8H2,1-4H3
InChIKeyXOXXBCKRXSDMOU-UHFFFAOYSA-N
XLogP2.14
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-methylcyclohexane-1-sulfonamide?
The IUPAC name of 4-tert-butyl-N-methylcyclohexane-1-sulfonamide (CID 165446432) is 4-tert-butyl-N-methylcyclohexane-1-sulfonamide.
What is the SMILES notation for 4-tert-butyl-N-methylcyclohexane-1-sulfonamide?
The canonical SMILES for 4-tert-butyl-N-methylcyclohexane-1-sulfonamide is CNS(=O)(=O)C1CCC(C(C)(C)C)CC1.
What is the InChIKey of 4-tert-butyl-N-methylcyclohexane-1-sulfonamide?
The InChIKey is XOXXBCKRXSDMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-11(2,3)9-5-7-10(8-6-9)15(13,14)12-4/h9-10,12H,5-8H2,1-4H3.
What are the key properties of 4-tert-butyl-N-methylcyclohexane-1-sulfonamide?
4-tert-butyl-N-methylcyclohexane-1-sulfonamide has a molecular weight of 233.38 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-methylcyclohexane-1-sulfonamide is sourced from PubChem (CID 165446432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).