N-[2-(cyclohexen-1-yl)ethyl]propane-1-sulfonamide

C11H21NO2S — CID 60643322

IUPACN-[2-(cyclohexen-1-yl)ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCC1=CCCCC1
InChIInChI=1S/C11H21NO2S/c1-2-10-15(13,14)12-9-8-11-6-4-3-5-7-11/h6,12H,2-5,7-10H2,1H3
InChIKeyDYKNAPYHYFYGJB-UHFFFAOYSA-N
MW231.36 g/mol
LogP2.21
Rot. Bonds6

About N-[2-(cyclohexen-1-yl)ethyl]propane-1-sulfonamide

N-[2-(cyclohexen-1-yl)ethyl]propane-1-sulfonamide (PubChem CID 60643322) has the molecular formula C11H21NO2S and a molecular weight of 231.36 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]propane-1-sulfonamide
PubChem CID60643322
Molecular FormulaC11H21NO2S
Molecular Weight231.36 g/mol
Exact Mass231.13
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCC1=CCCCC1
InChIInChI=1S/C11H21NO2S/c1-2-10-15(13,14)12-9-8-11-6-4-3-5-7-11/h6,12H,2-5,7-10H2,1H3
InChIKeyDYKNAPYHYFYGJB-UHFFFAOYSA-N
XLogP2.21
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 52.21
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
Propane-2-sulfonic acid octadec-9-enyl-amide
CID 156025619
3-amino-N-[3-(3,6-difluorocyclohexa-1,3-dien-1-yl)propyl]propane-1-sulfonamide
CID 68027191
N-(2-butylcyclopent-2-en-1-yl)-2-methylpropane-2-sulfonamide
CID 102388633
N-(2-butylcyclohex-2-en-1-yl)-2-methylpropane-2-sulfonamide
CID 102388637
(z)-N-(octadec-9-en-1-yl)ethenesulfonamide
CID 132280910
(z)-N-(octadec-9-en-1-yl)butane-1-sulfonamide
CID 132281235
N-(5-methylhex-4-enyl)butane-1-sulfonamide
CID 138967449
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-[4-(4-cyclopentyl)-3-cyclohexen-1-yl]propyl] 2-propanesulfonamide
CID 15541827
N-(2-methylpropyl)cyclohexene-1-sulfonamide
CID 18792230

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]propane-1-sulfonamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]propane-1-sulfonamide (CID 60643322) is N-[2-(cyclohexen-1-yl)ethyl]propane-1-sulfonamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]propane-1-sulfonamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]propane-1-sulfonamide is CCCS(=O)(=O)NCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]propane-1-sulfonamide?
The InChIKey is DYKNAPYHYFYGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2S/c1-2-10-15(13,14)12-9-8-11-6-4-3-5-7-11/h6,12H,2-5,7-10H2,1H3.
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]propane-1-sulfonamide?
N-[2-(cyclohexen-1-yl)ethyl]propane-1-sulfonamide has a molecular weight of 231.36 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]propane-1-sulfonamide is sourced from PubChem (CID 60643322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).