N-ethyl-4-methylcyclohexene-1-sulfonamide

C9H17NO2S — CID 163457925

IUPACN-ethyl-4-methylcyclohexene-1-sulfonamide
SMILESCCNS(=O)(=O)C1=CCC(C)CC1
InChIInChI=1S/C9H17NO2S/c1-3-10-13(11,12)9-6-4-8(2)5-7-9/h6,8,10H,3-5,7H2,1-2H3
InChIKeyBMBAUCQBDCQDAH-UHFFFAOYSA-N
MW203.31 g/mol
LogP1.63
Rot. Bonds3

About N-ethyl-4-methylcyclohexene-1-sulfonamide

N-ethyl-4-methylcyclohexene-1-sulfonamide (PubChem CID 163457925) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is N-ethyl-4-methylcyclohexene-1-sulfonamide.

Molecular Properties

Compound NameN-ethyl-4-methylcyclohexene-1-sulfonamide
PubChem CID163457925
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC NameN-ethyl-4-methylcyclohexene-1-sulfonamide
SMILESCCNS(=O)(=O)C1=CCC(C)CC1
InChIInChI=1S/C9H17NO2S/c1-3-10-13(11,12)9-6-4-8(2)5-7-9/h6,8,10H,3-5,7H2,1-2H3
InChIKeyBMBAUCQBDCQDAH-UHFFFAOYSA-N
XLogP1.63
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 ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-fluoroethyl)-4,5-dimethylcyclohexa-1,3-diene-1-sulfonamide
CID 146209353
N-[2-(4-trimethylstannylcyclohex-3-en-1-yl)propyl]propane-2-sulfonamide
CID 18714020
N-(2-methylpropyl)cyclohexene-1-sulfonamide
CID 18792230
N-[(6-methylidenecyclohex-3-en-1-yl)methyl]methanesulfonamide
CID 23528931
4-(2-Aminoethyl)cyclohexene-1-sulfonamide
CID 70974426
N,6-dimethylcyclohex-2-ene-1-sulfonamide
CID 144457940
N-[(E)-5,7-dimethyloct-5-en-3-yl]-2-methylpropane-2-sulfonamide
CID 144966152
N-ethyl-1,6-dimethylcyclohexa-2,4-diene-1-sulfonamide
CID 145821305
1,6-dimethyl-N-(2-methylpropyl)cyclohexa-2,4-diene-1-sulfonamide
CID 145821308
1,6-dimethyl-N-propylcyclohexa-2,4-diene-1-sulfonamide
CID 145821310
N-propan-2-ylcyclohexene-1-sulfonamide
CID 155332302
(E)-7-amino-N-tert-butyl-6-ethylnon-3-ene-4-sulfonamide
CID 167082481

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methylcyclohexene-1-sulfonamide?
The IUPAC name of N-ethyl-4-methylcyclohexene-1-sulfonamide (CID 163457925) is N-ethyl-4-methylcyclohexene-1-sulfonamide.
What is the SMILES notation for N-ethyl-4-methylcyclohexene-1-sulfonamide?
The canonical SMILES for N-ethyl-4-methylcyclohexene-1-sulfonamide is CCNS(=O)(=O)C1=CCC(C)CC1.
What is the InChIKey of N-ethyl-4-methylcyclohexene-1-sulfonamide?
The InChIKey is BMBAUCQBDCQDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2S/c1-3-10-13(11,12)9-6-4-8(2)5-7-9/h6,8,10H,3-5,7H2,1-2H3.
What are the key properties of N-ethyl-4-methylcyclohexene-1-sulfonamide?
N-ethyl-4-methylcyclohexene-1-sulfonamide has a molecular weight of 203.31 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methylcyclohexene-1-sulfonamide is sourced from PubChem (CID 163457925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).