2-methyl-N-(2-methylidenecyclohexyl)propane-2-sulfonamide

C11H21NO2S — CID 86063139

IUPAC2-methyl-N-(2-methylidenecyclohexyl)propane-2-sulfonamide
SMILESC=C1CCCCC1NS(=O)(=O)C(C)(C)C
InChIInChI=1S/C11H21NO2S/c1-9-7-5-6-8-10(9)12-15(13,14)11(2,3)4/h10,12H,1,5-8H2,2-4H3
InChIKeyUPFSQSCORIRCGV-UHFFFAOYSA-N
MW231.36 g/mol
LogP2.20
Rot. Bonds2

About 2-methyl-N-(2-methylidenecyclohexyl)propane-2-sulfonamide

2-methyl-N-(2-methylidenecyclohexyl)propane-2-sulfonamide (PubChem CID 86063139) has the molecular formula C11H21NO2S and a molecular weight of 231.36 g/mol. Its IUPAC name is 2-methyl-N-(2-methylidenecyclohexyl)propane-2-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-(2-methylidenecyclohexyl)propane-2-sulfonamide
PubChem CID86063139
Molecular FormulaC11H21NO2S
Molecular Weight231.36 g/mol
Exact Mass231.13
IUPAC Name2-methyl-N-(2-methylidenecyclohexyl)propane-2-sulfonamide
SMILESC=C1CCCCC1NS(=O)(=O)C(C)(C)C
InChIInChI=1S/C11H21NO2S/c1-9-7-5-6-8-10(9)12-15(13,14)11(2,3)4/h10,12H,1,5-8H2,2-4H3
InChIKeyUPFSQSCORIRCGV-UHFFFAOYSA-N
XLogP2.20
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylidenecyclohexyl)propane-2-sulfonamide?
The IUPAC name of 2-methyl-N-(2-methylidenecyclohexyl)propane-2-sulfonamide (CID 86063139) is 2-methyl-N-(2-methylidenecyclohexyl)propane-2-sulfonamide.
What is the SMILES notation for 2-methyl-N-(2-methylidenecyclohexyl)propane-2-sulfonamide?
The canonical SMILES for 2-methyl-N-(2-methylidenecyclohexyl)propane-2-sulfonamide is C=C1CCCCC1NS(=O)(=O)C(C)(C)C.
What is the InChIKey of 2-methyl-N-(2-methylidenecyclohexyl)propane-2-sulfonamide?
The InChIKey is UPFSQSCORIRCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2S/c1-9-7-5-6-8-10(9)12-15(13,14)11(2,3)4/h10,12H,1,5-8H2,2-4H3.
What are the key properties of 2-methyl-N-(2-methylidenecyclohexyl)propane-2-sulfonamide?
2-methyl-N-(2-methylidenecyclohexyl)propane-2-sulfonamide has a molecular weight of 231.36 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylidenecyclohexyl)propane-2-sulfonamide is sourced from PubChem (CID 86063139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).