N-ethyl-2-propylcyclohexa-1,5-diene-1-sulfonamide

C11H19NO2S — CID 143931604

IUPACN-ethyl-2-propylcyclohexa-1,5-diene-1-sulfonamide
SMILESCCCC1=C(S(=O)(=O)NCC)C=CCC1
InChIInChI=1S/C11H19NO2S/c1-3-7-10-8-5-6-9-11(10)15(13,14)12-4-2/h6,9,12H,3-5,7-8H2,1-2H3
InChIKeySJOBNUBAZWINGN-UHFFFAOYSA-N
MW229.34 g/mol
LogP2.33
Rot. Bonds5

About N-ethyl-2-propylcyclohexa-1,5-diene-1-sulfonamide

N-ethyl-2-propylcyclohexa-1,5-diene-1-sulfonamide (PubChem CID 143931604) has the molecular formula C11H19NO2S and a molecular weight of 229.34 g/mol. Its IUPAC name is N-ethyl-2-propylcyclohexa-1,5-diene-1-sulfonamide.

Molecular Properties

Compound NameN-ethyl-2-propylcyclohexa-1,5-diene-1-sulfonamide
PubChem CID143931604
Molecular FormulaC11H19NO2S
Molecular Weight229.34 g/mol
Exact Mass229.11
IUPAC NameN-ethyl-2-propylcyclohexa-1,5-diene-1-sulfonamide
SMILESCCCC1=C(S(=O)(=O)NCC)C=CCC1
InChIInChI=1S/C11H19NO2S/c1-3-7-10-8-5-6-9-11(10)15(13,14)12-4-2/h6,9,12H,3-5,7-8H2,1-2H3
InChIKeySJOBNUBAZWINGN-UHFFFAOYSA-N
XLogP2.33
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.34
LogP ≤ 52.33
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-methylpropyl)cyclohexene-1-sulfonamide
CID 18792230
N-octadecyl-6-(oxomethylidene)cyclohexa-1,3-diene-1-sulfonamide
CID 20226982
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
N-[2-(cyclohexen-1-yl)ethyl]-2-methylpropane-2-sulfonamide
CID 60069844
N-[2-(cyclohexen-1-yl)ethyl]propane-2-sulfonamide
CID 61361231
4-methyl-N-propylcyclohexa-2,4-diene-1-sulfonamide
CID 68052803
N-butylcyclohexa-2,4-diene-1-sulfonamide
CID 69775508
N-cyclopropyl-2-methylcyclohexa-1,5-diene-1-sulfonamide
CID 70913584
N-(4-methylhepta-4,6-dien-3-yl)butane-1-sulfonamide
CID 73735614
(3Z,5Z)-4-(2-aminoethyl)hepta-3,5-diene-1-sulfonamide
CID 88274862

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-propylcyclohexa-1,5-diene-1-sulfonamide?
The IUPAC name of N-ethyl-2-propylcyclohexa-1,5-diene-1-sulfonamide (CID 143931604) is N-ethyl-2-propylcyclohexa-1,5-diene-1-sulfonamide.
What is the SMILES notation for N-ethyl-2-propylcyclohexa-1,5-diene-1-sulfonamide?
The canonical SMILES for N-ethyl-2-propylcyclohexa-1,5-diene-1-sulfonamide is CCCC1=C(S(=O)(=O)NCC)C=CCC1.
What is the InChIKey of N-ethyl-2-propylcyclohexa-1,5-diene-1-sulfonamide?
The InChIKey is SJOBNUBAZWINGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2S/c1-3-7-10-8-5-6-9-11(10)15(13,14)12-4-2/h6,9,12H,3-5,7-8H2,1-2H3.
What are the key properties of N-ethyl-2-propylcyclohexa-1,5-diene-1-sulfonamide?
N-ethyl-2-propylcyclohexa-1,5-diene-1-sulfonamide has a molecular weight of 229.34 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-propylcyclohexa-1,5-diene-1-sulfonamide is sourced from PubChem (CID 143931604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).