5-(3-aminoprop-1-enyl)-N-cyclopentylcyclohexa-1,5-diene-1-sulfonamide

C14H22N2O2S — CID 90890370

IUPAC5-(3-aminoprop-1-enyl)-N-cyclopentylcyclohexa-1,5-diene-1-sulfonamide
SMILESNCC=CC1=CC(S(=O)(=O)NC2CCCC2)=CCC1
InChIInChI=1S/C14H22N2O2S/c15-10-4-6-12-5-3-9-14(11-12)19(17,18)16-13-7-1-2-8-13/h4,6,9,11,13,16H,1-3,5,7-8,10,15H2
InChIKeyANIKJCPXTUUFRW-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.97
Rot. Bonds5

About 5-(3-aminoprop-1-enyl)-N-cyclopentylcyclohexa-1,5-diene-1-sulfonamide

5-(3-aminoprop-1-enyl)-N-cyclopentylcyclohexa-1,5-diene-1-sulfonamide (PubChem CID 90890370) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 5-(3-aminoprop-1-enyl)-N-cyclopentylcyclohexa-1,5-diene-1-sulfonamide.

Molecular Properties

Compound Name5-(3-aminoprop-1-enyl)-N-cyclopentylcyclohexa-1,5-diene-1-sulfonamide
PubChem CID90890370
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name5-(3-aminoprop-1-enyl)-N-cyclopentylcyclohexa-1,5-diene-1-sulfonamide
SMILESNCC=CC1=CC(S(=O)(=O)NC2CCCC2)=CCC1
InChIInChI=1S/C14H22N2O2S/c15-10-4-6-12-5-3-9-14(11-12)19(17,18)16-13-7-1-2-8-13/h4,6,9,11,13,16H,1-3,5,7-8,10,15H2
InChIKeyANIKJCPXTUUFRW-UHFFFAOYSA-N
XLogP1.97
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-Ethenyl-6-sulfonylcyclohexa-2,4-dien-1-amine
CID 88626452
4-(Aminomethyl)cyclohexa-1,3-diene-1-sulfonamide
CID 89671976
9-amino-6-methylidene-N-propylnona-2,4-diene-2-sulfonamide
CID 91456208
3-amino-N,6-dimethylcyclohexa-1,5-diene-1-sulfonamide
CID 121285439
2,3,4,5-Tetrahydro-1,2-benzothiazole 1,1-dioxide
CID 122528847
5-(aminomethyl)-N-ethylcyclohexa-1,5-diene-1-sulfonamide
CID 129171306
N-cyclohexyl-2-methylcyclohexa-1,5-diene-1-sulfonamide
CID 143467549
(2Z,4E,7E)-9-amino-N-heptan-4-yl-6-methylidenenona-2,4,7-triene-4-sulfonamide
CID 143954904
2-methyl-N-propan-2-ylcyclohexa-1,5-diene-1-sulfonamide
CID 163971904
N-[(1S)-cyclopent-2-en-1-yl]-2-methylpropane-2-sulfonamide
CID 24749771
N-cyclohexyl-8lambda4-thia-7,9-diazabicyclo[4.3.0]nona-2,4,7,8-tetraene-2-sulfonamide
CID 71702026
(1S,6R)-N-cyclohexyl-8lambda4-thia-7,9-diazabicyclo[4.3.0]nona-2,4,7,8-tetraene-2-sulfonamide
CID 98206911

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoprop-1-enyl)-N-cyclopentylcyclohexa-1,5-diene-1-sulfonamide?
The IUPAC name of 5-(3-aminoprop-1-enyl)-N-cyclopentylcyclohexa-1,5-diene-1-sulfonamide (CID 90890370) is 5-(3-aminoprop-1-enyl)-N-cyclopentylcyclohexa-1,5-diene-1-sulfonamide.
What is the SMILES notation for 5-(3-aminoprop-1-enyl)-N-cyclopentylcyclohexa-1,5-diene-1-sulfonamide?
The canonical SMILES for 5-(3-aminoprop-1-enyl)-N-cyclopentylcyclohexa-1,5-diene-1-sulfonamide is NCC=CC1=CC(S(=O)(=O)NC2CCCC2)=CCC1.
What is the InChIKey of 5-(3-aminoprop-1-enyl)-N-cyclopentylcyclohexa-1,5-diene-1-sulfonamide?
The InChIKey is ANIKJCPXTUUFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c15-10-4-6-12-5-3-9-14(11-12)19(17,18)16-13-7-1-2-8-13/h4,6,9,11,13,16H,1-3,5,7-8,10,15H2.
What are the key properties of 5-(3-aminoprop-1-enyl)-N-cyclopentylcyclohexa-1,5-diene-1-sulfonamide?
5-(3-aminoprop-1-enyl)-N-cyclopentylcyclohexa-1,5-diene-1-sulfonamide has a molecular weight of 282.41 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminoprop-1-enyl)-N-cyclopentylcyclohexa-1,5-diene-1-sulfonamide is sourced from PubChem (CID 90890370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).