N-(2-butan-2-yl-1-methylcyclohex-2-en-1-yl)-2-methylpropane-2-sulfonamide

C15H29NO2S — CID 102388642

IUPACN-(2-butan-2-yl-1-methylcyclohex-2-en-1-yl)-2-methylpropane-2-sulfonamide
SMILESCCC(C)C1=CCCCC1(C)NS(=O)(=O)C(C)(C)C
InChIInChI=1S/C15H29NO2S/c1-7-12(2)13-10-8-9-11-15(13,6)16-19(17,18)14(3,4)5/h10,12,16H,7-9,11H2,1-6H3
InChIKeyOFRNRURHVJOJSH-UHFFFAOYSA-N
MW287.47 g/mol
LogP3.62
Rot. Bonds4

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

N-(2-butan-2-yl-1-methylcyclohex-2-en-1-yl)-2-methylpropane-2-sulfonamide (PubChem CID 102388642) has the molecular formula C15H29NO2S and a molecular weight of 287.47 g/mol. Its IUPAC name is N-(2-butan-2-yl-1-methylcyclohex-2-en-1-yl)-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-(2-butan-2-yl-1-methylcyclohex-2-en-1-yl)-2-methylpropane-2-sulfonamide
PubChem CID102388642
Molecular FormulaC15H29NO2S
Molecular Weight287.47 g/mol
Exact Mass287.19
IUPAC NameN-(2-butan-2-yl-1-methylcyclohex-2-en-1-yl)-2-methylpropane-2-sulfonamide
SMILESCCC(C)C1=CCCCC1(C)NS(=O)(=O)C(C)(C)C
InChIInChI=1S/C15H29NO2S/c1-7-12(2)13-10-8-9-11-15(13,6)16-19(17,18)14(3,4)5/h10,12,16H,7-9,11H2,1-6H3
InChIKeyOFRNRURHVJOJSH-UHFFFAOYSA-N
XLogP3.62
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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-butan-2-yl-1-methylcyclohex-2-en-1-yl)-2-methylpropane-2-sulfonamide?
The IUPAC name of N-(2-butan-2-yl-1-methylcyclohex-2-en-1-yl)-2-methylpropane-2-sulfonamide (CID 102388642) is N-(2-butan-2-yl-1-methylcyclohex-2-en-1-yl)-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-(2-butan-2-yl-1-methylcyclohex-2-en-1-yl)-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-(2-butan-2-yl-1-methylcyclohex-2-en-1-yl)-2-methylpropane-2-sulfonamide is CCC(C)C1=CCCCC1(C)NS(=O)(=O)C(C)(C)C.
What is the InChIKey of N-(2-butan-2-yl-1-methylcyclohex-2-en-1-yl)-2-methylpropane-2-sulfonamide?
The InChIKey is OFRNRURHVJOJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2S/c1-7-12(2)13-10-8-9-11-15(13,6)16-19(17,18)14(3,4)5/h10,12,16H,7-9,11H2,1-6H3.
What are the key properties of N-(2-butan-2-yl-1-methylcyclohex-2-en-1-yl)-2-methylpropane-2-sulfonamide?
N-(2-butan-2-yl-1-methylcyclohex-2-en-1-yl)-2-methylpropane-2-sulfonamide has a molecular weight of 287.47 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butan-2-yl-1-methylcyclohex-2-en-1-yl)-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 102388642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).