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

C13H25NO2S — CID 102388633

IUPACN-(2-butylcyclopent-2-en-1-yl)-2-methylpropane-2-sulfonamide
SMILESCCCCC1=CCCC1NS(=O)(=O)C(C)(C)C
InChIInChI=1S/C13H25NO2S/c1-5-6-8-11-9-7-10-12(11)14-17(15,16)13(2,3)4/h9,12,14H,5-8,10H2,1-4H3
InChIKeySIHRJRHTLUDPNX-UHFFFAOYSA-N
MW259.41 g/mol
LogP2.98
Rot. Bonds5

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

N-(2-butylcyclopent-2-en-1-yl)-2-methylpropane-2-sulfonamide (PubChem CID 102388633) has the molecular formula C13H25NO2S and a molecular weight of 259.41 g/mol. Its IUPAC name is N-(2-butylcyclopent-2-en-1-yl)-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-(2-butylcyclopent-2-en-1-yl)-2-methylpropane-2-sulfonamide
PubChem CID102388633
Molecular FormulaC13H25NO2S
Molecular Weight259.41 g/mol
Exact Mass259.16
IUPAC NameN-(2-butylcyclopent-2-en-1-yl)-2-methylpropane-2-sulfonamide
SMILESCCCCC1=CCCC1NS(=O)(=O)C(C)(C)C
InChIInChI=1S/C13H25NO2S/c1-5-6-8-11-9-7-10-12(11)14-17(15,16)13(2,3)4/h9,12,14H,5-8,10H2,1-4H3
InChIKeySIHRJRHTLUDPNX-UHFFFAOYSA-N
XLogP2.98
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.41
LogP ≤ 52.98
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-[(E,11R,14R)-14-(tert-butylsulfonylamino)tetracos-12-en-11-yl]-2-methylpropane-2-sulfonamide
CID 11657324
N-(2-butylcyclohex-2-en-1-yl)-2-methylpropane-2-sulfonamide
CID 102388637
2-methyl-N-[2-(trimethylsilylmethyl)cyclopent-2-en-1-yl]propane-2-sulfonamide
CID 134998499
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-(cyclohexen-1-yl)ethyl]-2-methylpropane-2-sulfonamide
CID 60069844
N-[2-(cyclohexen-1-yl)ethyl]propane-2-sulfonamide
CID 61361231
N-[2-(cyclopenten-1-yl)ethyl]-2-methylpropane-2-sulfinamide
CID 90709231
(R)-2-methyl-N-[(1R)-2-methylcyclopent-2-en-1-yl]propane-2-sulfinamide
CID 118540667
2-methyl-N-[(1R)-2-methylcyclopent-2-en-1-yl]propane-2-sulfinamide
CID 118540668

Frequently Asked Questions

What is the IUPAC name of N-(2-butylcyclopent-2-en-1-yl)-2-methylpropane-2-sulfonamide?
The IUPAC name of N-(2-butylcyclopent-2-en-1-yl)-2-methylpropane-2-sulfonamide (CID 102388633) is N-(2-butylcyclopent-2-en-1-yl)-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-(2-butylcyclopent-2-en-1-yl)-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-(2-butylcyclopent-2-en-1-yl)-2-methylpropane-2-sulfonamide is CCCCC1=CCCC1NS(=O)(=O)C(C)(C)C.
What is the InChIKey of N-(2-butylcyclopent-2-en-1-yl)-2-methylpropane-2-sulfonamide?
The InChIKey is SIHRJRHTLUDPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2S/c1-5-6-8-11-9-7-10-12(11)14-17(15,16)13(2,3)4/h9,12,14H,5-8,10H2,1-4H3.
What are the key properties of N-(2-butylcyclopent-2-en-1-yl)-2-methylpropane-2-sulfonamide?
N-(2-butylcyclopent-2-en-1-yl)-2-methylpropane-2-sulfonamide has a molecular weight of 259.41 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butylcyclopent-2-en-1-yl)-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 102388633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).