N-(2-tert-butyl-1-methylcyclohex-2-en-1-yl)-2-methylpropane-2-sulfonamide

C15H29NO2S — CID 134998037

IUPACN-(2-tert-butyl-1-methylcyclohex-2-en-1-yl)-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)C1=CCCCC1(C)NS(=O)(=O)C(C)(C)C
InChIInChI=1S/C15H29NO2S/c1-13(2,3)12-10-8-9-11-15(12,7)16-19(17,18)14(4,5)6/h10,16H,8-9,11H2,1-7H3
InChIKeyVGLMWZJEODHXOJ-UHFFFAOYSA-N
MW287.47 g/mol
LogP3.62
Rot. Bonds2

About N-(2-tert-butyl-1-methylcyclohex-2-en-1-yl)-2-methylpropane-2-sulfonamide

N-(2-tert-butyl-1-methylcyclohex-2-en-1-yl)-2-methylpropane-2-sulfonamide (PubChem CID 134998037) has the molecular formula C15H29NO2S and a molecular weight of 287.47 g/mol. Its IUPAC name is N-(2-tert-butyl-1-methylcyclohex-2-en-1-yl)-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-(2-tert-butyl-1-methylcyclohex-2-en-1-yl)-2-methylpropane-2-sulfonamide
PubChem CID134998037
Molecular FormulaC15H29NO2S
Molecular Weight287.47 g/mol
Exact Mass287.19
IUPAC NameN-(2-tert-butyl-1-methylcyclohex-2-en-1-yl)-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)C1=CCCCC1(C)NS(=O)(=O)C(C)(C)C
InChIInChI=1S/C15H29NO2S/c1-13(2,3)12-10-8-9-11-15(12,7)16-19(17,18)14(4,5)6/h10,16H,8-9,11H2,1-7H3
InChIKeyVGLMWZJEODHXOJ-UHFFFAOYSA-N
XLogP3.62
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.47
LogP ≤ 53.62
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 N-(2-tert-butyl-1-methylcyclohex-2-en-1-yl)-2-methylpropane-2-sulfonamide?
The IUPAC name of N-(2-tert-butyl-1-methylcyclohex-2-en-1-yl)-2-methylpropane-2-sulfonamide (CID 134998037) is N-(2-tert-butyl-1-methylcyclohex-2-en-1-yl)-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-(2-tert-butyl-1-methylcyclohex-2-en-1-yl)-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-(2-tert-butyl-1-methylcyclohex-2-en-1-yl)-2-methylpropane-2-sulfonamide is CC(C)(C)C1=CCCCC1(C)NS(=O)(=O)C(C)(C)C.
What is the InChIKey of N-(2-tert-butyl-1-methylcyclohex-2-en-1-yl)-2-methylpropane-2-sulfonamide?
The InChIKey is VGLMWZJEODHXOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2S/c1-13(2,3)12-10-8-9-11-15(12,7)16-19(17,18)14(4,5)6/h10,16H,8-9,11H2,1-7H3.
What are the key properties of N-(2-tert-butyl-1-methylcyclohex-2-en-1-yl)-2-methylpropane-2-sulfonamide?
N-(2-tert-butyl-1-methylcyclohex-2-en-1-yl)-2-methylpropane-2-sulfonamide has a molecular weight of 287.47 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butyl-1-methylcyclohex-2-en-1-yl)-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 134998037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).