N-(1-ethenylcyclohexyl)-2-methylpropane-2-sulfonamide

C12H23NO2S — CID 86063126

IUPACN-(1-ethenylcyclohexyl)-2-methylpropane-2-sulfonamide
SMILESC=CC1(NS(=O)(=O)C(C)(C)C)CCCCC1
InChIInChI=1S/C12H23NO2S/c1-5-12(9-7-6-8-10-12)13-16(14,15)11(2,3)4/h5,13H,1,6-10H2,2-4H3
InChIKeyZPRQYKBBRJVHNS-UHFFFAOYSA-N
MW245.39 g/mol
LogP2.59
Rot. Bonds3

About N-(1-ethenylcyclohexyl)-2-methylpropane-2-sulfonamide

N-(1-ethenylcyclohexyl)-2-methylpropane-2-sulfonamide (PubChem CID 86063126) has the molecular formula C12H23NO2S and a molecular weight of 245.39 g/mol. Its IUPAC name is N-(1-ethenylcyclohexyl)-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-(1-ethenylcyclohexyl)-2-methylpropane-2-sulfonamide
PubChem CID86063126
Molecular FormulaC12H23NO2S
Molecular Weight245.39 g/mol
Exact Mass245.14
IUPAC NameN-(1-ethenylcyclohexyl)-2-methylpropane-2-sulfonamide
SMILESC=CC1(NS(=O)(=O)C(C)(C)C)CCCCC1
InChIInChI=1S/C12H23NO2S/c1-5-12(9-7-6-8-10-12)13-16(14,15)11(2,3)4/h5,13H,1,6-10H2,2-4H3
InChIKeyZPRQYKBBRJVHNS-UHFFFAOYSA-N
XLogP2.59
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 52.59
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-(1-ethenylcyclohexyl)-2-methylpropane-2-sulfonamide?
The IUPAC name of N-(1-ethenylcyclohexyl)-2-methylpropane-2-sulfonamide (CID 86063126) is N-(1-ethenylcyclohexyl)-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-(1-ethenylcyclohexyl)-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-(1-ethenylcyclohexyl)-2-methylpropane-2-sulfonamide is C=CC1(NS(=O)(=O)C(C)(C)C)CCCCC1.
What is the InChIKey of N-(1-ethenylcyclohexyl)-2-methylpropane-2-sulfonamide?
The InChIKey is ZPRQYKBBRJVHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2S/c1-5-12(9-7-6-8-10-12)13-16(14,15)11(2,3)4/h5,13H,1,6-10H2,2-4H3.
What are the key properties of N-(1-ethenylcyclohexyl)-2-methylpropane-2-sulfonamide?
N-(1-ethenylcyclohexyl)-2-methylpropane-2-sulfonamide has a molecular weight of 245.39 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethenylcyclohexyl)-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 86063126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).