N,N-dicyclohexyl-2-methylbutane-2-sulfonamide

C17H33NO2S — CID 71096288

IUPACN,N-dicyclohexyl-2-methylbutane-2-sulfonamide
SMILESCCC(C)(C)S(=O)(=O)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C17H33NO2S/c1-4-17(2,3)21(19,20)18(15-11-7-5-8-12-15)16-13-9-6-10-14-16/h15-16H,4-14H2,1-3H3
InChIKeyIWMPZYRGUXAWBK-UHFFFAOYSA-N
MW315.52 g/mol
LogP4.47
Rot. Bonds5

About N,N-dicyclohexyl-2-methylbutane-2-sulfonamide

N,N-dicyclohexyl-2-methylbutane-2-sulfonamide (PubChem CID 71096288) has the molecular formula C17H33NO2S and a molecular weight of 315.52 g/mol. Its IUPAC name is N,N-dicyclohexyl-2-methylbutane-2-sulfonamide.

Molecular Properties

Compound NameN,N-dicyclohexyl-2-methylbutane-2-sulfonamide
PubChem CID71096288
Molecular FormulaC17H33NO2S
Molecular Weight315.52 g/mol
Exact Mass315.22
IUPAC NameN,N-dicyclohexyl-2-methylbutane-2-sulfonamide
SMILESCCC(C)(C)S(=O)(=O)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C17H33NO2S/c1-4-17(2,3)21(19,20)18(15-11-7-5-8-12-15)16-13-9-6-10-14-16/h15-16H,4-14H2,1-3H3
InChIKeyIWMPZYRGUXAWBK-UHFFFAOYSA-N
XLogP4.47
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.52
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dicyclohexyl-2-methylpropane-2-sulfonamide
CID 10542350
N,N-dicyclohexyl-2-methylpropane-2-sulfinamide
CID 10565092
N,N-dicyclohexylethanesulfonamide
CID 3554785
N,N-dicyclohexyldodecane-1-sulfonamide
CID 15510196
N,N-dicyclohexylbutane-1-sulfonamide
CID 19682437
N-cyclohexyl-N-ethyl-3-methylbutane-1-sulfonamide
CID 58689101
N-cyclohexyl-3-methyl-N-propan-2-ylbutane-1-sulfonamide
CID 58689269
N,N-dicyclohexylpropane-2-sulfonamide
CID 64586724
N-cyclohexyl-2-methyl-N-pentan-2-ylpropane-2-sulfonamide
CID 70989634
Dicyclohexyl(diethyl)azanium;ethanesulfonate
CID 87092579
Dicyclohexyl(diethyl)azanium;methanesulfonate
CID 87092687
Dicyclohexyl(diethyl)azanium;propane-1-sulfonate
CID 87093000

Frequently Asked Questions

What is the IUPAC name of N,N-dicyclohexyl-2-methylbutane-2-sulfonamide?
The IUPAC name of N,N-dicyclohexyl-2-methylbutane-2-sulfonamide (CID 71096288) is N,N-dicyclohexyl-2-methylbutane-2-sulfonamide.
What is the SMILES notation for N,N-dicyclohexyl-2-methylbutane-2-sulfonamide?
The canonical SMILES for N,N-dicyclohexyl-2-methylbutane-2-sulfonamide is CCC(C)(C)S(=O)(=O)N(C1CCCCC1)C1CCCCC1.
What is the InChIKey of N,N-dicyclohexyl-2-methylbutane-2-sulfonamide?
The InChIKey is IWMPZYRGUXAWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2S/c1-4-17(2,3)21(19,20)18(15-11-7-5-8-12-15)16-13-9-6-10-14-16/h15-16H,4-14H2,1-3H3.
What are the key properties of N,N-dicyclohexyl-2-methylbutane-2-sulfonamide?
N,N-dicyclohexyl-2-methylbutane-2-sulfonamide has a molecular weight of 315.52 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dicyclohexyl-2-methylbutane-2-sulfonamide is sourced from PubChem (CID 71096288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).