N-cyclohexyl-2-methyl-N-pentan-2-ylpropane-2-sulfonamide

C15H31NO2S — CID 70989634

IUPACN-cyclohexyl-2-methyl-N-pentan-2-ylpropane-2-sulfonamide
SMILESCCCC(C)N(C1CCCCC1)S(=O)(=O)C(C)(C)C
InChIInChI=1S/C15H31NO2S/c1-6-10-13(2)16(14-11-8-7-9-12-14)19(17,18)15(3,4)5/h13-14H,6-12H2,1-5H3
InChIKeyCVQPRUMQSVCQHD-UHFFFAOYSA-N
MW289.49 g/mol
LogP3.94
Rot. Bonds5

About N-cyclohexyl-2-methyl-N-pentan-2-ylpropane-2-sulfonamide

N-cyclohexyl-2-methyl-N-pentan-2-ylpropane-2-sulfonamide (PubChem CID 70989634) has the molecular formula C15H31NO2S and a molecular weight of 289.49 g/mol. Its IUPAC name is N-cyclohexyl-2-methyl-N-pentan-2-ylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-2-methyl-N-pentan-2-ylpropane-2-sulfonamide
PubChem CID70989634
Molecular FormulaC15H31NO2S
Molecular Weight289.49 g/mol
Exact Mass289.21
IUPAC NameN-cyclohexyl-2-methyl-N-pentan-2-ylpropane-2-sulfonamide
SMILESCCCC(C)N(C1CCCCC1)S(=O)(=O)C(C)(C)C
InChIInChI=1S/C15H31NO2S/c1-6-10-13(2)16(14-11-8-7-9-12-14)19(17,18)15(3,4)5/h13-14H,6-12H2,1-5H3
InChIKeyCVQPRUMQSVCQHD-UHFFFAOYSA-N
XLogP3.94
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.49
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-methyl-N-pentan-2-ylpropane-2-sulfonamide?
The IUPAC name of N-cyclohexyl-2-methyl-N-pentan-2-ylpropane-2-sulfonamide (CID 70989634) is N-cyclohexyl-2-methyl-N-pentan-2-ylpropane-2-sulfonamide.
What is the SMILES notation for N-cyclohexyl-2-methyl-N-pentan-2-ylpropane-2-sulfonamide?
The canonical SMILES for N-cyclohexyl-2-methyl-N-pentan-2-ylpropane-2-sulfonamide is CCCC(C)N(C1CCCCC1)S(=O)(=O)C(C)(C)C.
What is the InChIKey of N-cyclohexyl-2-methyl-N-pentan-2-ylpropane-2-sulfonamide?
The InChIKey is CVQPRUMQSVCQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2S/c1-6-10-13(2)16(14-11-8-7-9-12-14)19(17,18)15(3,4)5/h13-14H,6-12H2,1-5H3.
What are the key properties of N-cyclohexyl-2-methyl-N-pentan-2-ylpropane-2-sulfonamide?
N-cyclohexyl-2-methyl-N-pentan-2-ylpropane-2-sulfonamide has a molecular weight of 289.49 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-methyl-N-pentan-2-ylpropane-2-sulfonamide is sourced from PubChem (CID 70989634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).