N-cyclohex-2-en-1-ylpropane-2-sulfonamide

C9H17NO2S — CID 131158057

IUPACN-cyclohex-2-en-1-ylpropane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1C=CCCC1
InChIInChI=1S/C9H17NO2S/c1-8(2)13(11,12)10-9-6-4-3-5-7-9/h4,6,8-10H,3,5,7H2,1-2H3
InChIKeyUNWLYYRMYZKGDM-UHFFFAOYSA-N
MW203.31 g/mol
LogP1.42
Rot. Bonds3

About N-cyclohex-2-en-1-ylpropane-2-sulfonamide

N-cyclohex-2-en-1-ylpropane-2-sulfonamide (PubChem CID 131158057) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is N-cyclohex-2-en-1-ylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-cyclohex-2-en-1-ylpropane-2-sulfonamide
PubChem CID131158057
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC NameN-cyclohex-2-en-1-ylpropane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1C=CCCC1
InChIInChI=1S/C9H17NO2S/c1-8(2)13(11,12)10-9-6-4-3-5-7-9/h4,6,8-10H,3,5,7H2,1-2H3
InChIKeyUNWLYYRMYZKGDM-UHFFFAOYSA-N
XLogP1.42
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-cyclohex-2-en-1-ylpropane-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Propane-2-sulfonic acid octadec-9-enyl-amide
CID 156025619
N-[(1S)-cyclohex-2-en-1-yl]oxetane-3-sulfonamide
CID 164631011
N-(4,6-difluorocyclohex-3-en-1-yl)propane-1-sulfonamide
CID 66802746
N-(Cyclohex-2-en-1-yl)methanesulfonamide
CID 71379088
3-[[(1S)-cyclohex-2-en-1-yl]amino]propane-1-sulfonic acid
CID 42627351
3-[[(1R)-cyclohex-2-en-1-yl]amino]propane-1-sulfonic acid
CID 53361980
1-bromo-N-cyclohex-2-en-1-ylethenesulfonamide
CID 86223712
N-(2-butylcyclohex-2-en-1-yl)-2-methylpropane-2-sulfonamide
CID 102388637
N-2,7-octadienyl-n-butanesulfonamide
CID 129812590
(z)-N-(octadec-9-en-1-yl)butane-1-sulfonamide
CID 132281235
N-[(4E)-4-methylhepta-4,6-dien-3-yl]butane-1-sulfonamide
CID 21034842
N-[(3S,4E)-4-methylhepta-4,6-dien-3-yl]butane-1-sulfonamide
CID 58597073

Frequently Asked Questions

What is the IUPAC name of N-cyclohex-2-en-1-ylpropane-2-sulfonamide?
The IUPAC name of N-cyclohex-2-en-1-ylpropane-2-sulfonamide (CID 131158057) is N-cyclohex-2-en-1-ylpropane-2-sulfonamide.
What is the SMILES notation for N-cyclohex-2-en-1-ylpropane-2-sulfonamide?
The canonical SMILES for N-cyclohex-2-en-1-ylpropane-2-sulfonamide is CC(C)S(=O)(=O)NC1C=CCCC1.
What is the InChIKey of N-cyclohex-2-en-1-ylpropane-2-sulfonamide?
The InChIKey is UNWLYYRMYZKGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2S/c1-8(2)13(11,12)10-9-6-4-3-5-7-9/h4,6,8-10H,3,5,7H2,1-2H3.
What are the key properties of N-cyclohex-2-en-1-ylpropane-2-sulfonamide?
N-cyclohex-2-en-1-ylpropane-2-sulfonamide has a molecular weight of 203.31 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohex-2-en-1-ylpropane-2-sulfonamide is sourced from PubChem (CID 131158057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).