N-(2-butylcyclohex-2-en-1-yl)-2-methylpropane-2-sulfonamide

C14H27NO2S — CID 102388637

IUPACN-(2-butylcyclohex-2-en-1-yl)-2-methylpropane-2-sulfonamide
SMILESCCCCC1=CCCCC1NS(=O)(=O)C(C)(C)C
InChIInChI=1S/C14H27NO2S/c1-5-6-9-12-10-7-8-11-13(12)15-18(16,17)14(2,3)4/h10,13,15H,5-9,11H2,1-4H3
InChIKeyYHAFMKFMFDGQLJ-UHFFFAOYSA-N
MW273.44 g/mol
LogP3.37
Rot. Bonds5

About N-(2-butylcyclohex-2-en-1-yl)-2-methylpropane-2-sulfonamide

N-(2-butylcyclohex-2-en-1-yl)-2-methylpropane-2-sulfonamide (PubChem CID 102388637) has the molecular formula C14H27NO2S and a molecular weight of 273.44 g/mol. Its IUPAC name is N-(2-butylcyclohex-2-en-1-yl)-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-(2-butylcyclohex-2-en-1-yl)-2-methylpropane-2-sulfonamide
PubChem CID102388637
Molecular FormulaC14H27NO2S
Molecular Weight273.44 g/mol
Exact Mass273.18
IUPAC NameN-(2-butylcyclohex-2-en-1-yl)-2-methylpropane-2-sulfonamide
SMILESCCCCC1=CCCCC1NS(=O)(=O)C(C)(C)C
InChIInChI=1S/C14H27NO2S/c1-5-6-9-12-10-7-8-11-13(12)15-18(16,17)14(2,3)4/h10,13,15H,5-9,11H2,1-4H3
InChIKeyYHAFMKFMFDGQLJ-UHFFFAOYSA-N
XLogP3.37
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.44
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-(1-cyclohexen-1-yl)ethyl]methanesulfonamide
CID 3246760
N-[(3R)-1-(cyclohexen-1-yl)pentan-3-yl]-1,1,1-trifluoromethanesulfonamide
CID 138980335
3-Amino-3-(cyclohexen-1-yl)-1,1-difluoropropane-1-sulfonic acid
CID 143236351
N-[(E,11R,14R)-14-(tert-butylsulfonylamino)tetracos-12-en-11-yl]-2-methylpropane-2-sulfonamide
CID 11657324
N-(2-butylcyclopent-2-en-1-yl)-2-methylpropane-2-sulfonamide
CID 102388633
2-methyl-N-[2-(trimethylsilylmethyl)cyclohex-2-en-1-yl]propane-2-sulfonamide
CID 134999197
(R)-N-[(E,6S)-dodec-4-en-6-yl]-2-methylpropane-2-sulfinamide
CID 135000510
N-[(1R)-1-(cyclohexen-1-yl)propyl]-2-methylpropane-2-sulfinamide
CID 138970584
N-(2-(cyclohex-1-en-1-yl)ethyl)cyclopropanesulfonamide
CID 45497311
N-[2-(cyclohexen-1-yl)ethyl]-2-methylpropane-2-sulfonamide
CID 60069844
N-[2-(cyclohexen-1-yl)ethyl]propane-2-sulfonamide
CID 61361231
N-(4-ethylidenecyclohexyl)methanesulfonamide
CID 71122467

Frequently Asked Questions

What is the IUPAC name of N-(2-butylcyclohex-2-en-1-yl)-2-methylpropane-2-sulfonamide?
The IUPAC name of N-(2-butylcyclohex-2-en-1-yl)-2-methylpropane-2-sulfonamide (CID 102388637) is N-(2-butylcyclohex-2-en-1-yl)-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-(2-butylcyclohex-2-en-1-yl)-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-(2-butylcyclohex-2-en-1-yl)-2-methylpropane-2-sulfonamide is CCCCC1=CCCCC1NS(=O)(=O)C(C)(C)C.
What is the InChIKey of N-(2-butylcyclohex-2-en-1-yl)-2-methylpropane-2-sulfonamide?
The InChIKey is YHAFMKFMFDGQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2S/c1-5-6-9-12-10-7-8-11-13(12)15-18(16,17)14(2,3)4/h10,13,15H,5-9,11H2,1-4H3.
What are the key properties of N-(2-butylcyclohex-2-en-1-yl)-2-methylpropane-2-sulfonamide?
N-(2-butylcyclohex-2-en-1-yl)-2-methylpropane-2-sulfonamide has a molecular weight of 273.44 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butylcyclohex-2-en-1-yl)-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 102388637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).