N-cyclohexyl-2-methylcyclohexa-1,5-diene-1-sulfonamide

C13H21NO2S — CID 143467549

IUPACN-cyclohexyl-2-methylcyclohexa-1,5-diene-1-sulfonamide
SMILESCC1=C(S(=O)(=O)NC2CCCCC2)C=CCC1
InChIInChI=1S/C13H21NO2S/c1-11-7-5-6-10-13(11)17(15,16)14-12-8-3-2-4-9-12/h6,10,12,14H,2-5,7-9H2,1H3
InChIKeyZDFHFPPPUXXFMF-UHFFFAOYSA-N
MW255.38 g/mol
LogP2.86
Rot. Bonds3

About N-cyclohexyl-2-methylcyclohexa-1,5-diene-1-sulfonamide

N-cyclohexyl-2-methylcyclohexa-1,5-diene-1-sulfonamide (PubChem CID 143467549) has the molecular formula C13H21NO2S and a molecular weight of 255.38 g/mol. Its IUPAC name is N-cyclohexyl-2-methylcyclohexa-1,5-diene-1-sulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-2-methylcyclohexa-1,5-diene-1-sulfonamide
PubChem CID143467549
Molecular FormulaC13H21NO2S
Molecular Weight255.38 g/mol
Exact Mass255.13
IUPAC NameN-cyclohexyl-2-methylcyclohexa-1,5-diene-1-sulfonamide
SMILESCC1=C(S(=O)(=O)NC2CCCCC2)C=CCC1
InChIInChI=1S/C13H21NO2S/c1-11-7-5-6-10-13(11)17(15,16)14-12-8-3-2-4-9-12/h6,10,12,14H,2-5,7-9H2,1H3
InChIKeyZDFHFPPPUXXFMF-UHFFFAOYSA-N
XLogP2.86
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-butylcyclohex-2-en-1-yl)-2-methylpropane-2-sulfonamide
CID 102388637
(7-amino-5,6,7,8-tetrahydro-2H-naphthalen-1-ylidene)methanesulfonamide
CID 67791947
N-cyclopropyl-2-methylcyclohexa-1,5-diene-1-sulfonamide
CID 70913584
N-(4-ethylidenecyclohexyl)methanesulfonamide
CID 71122467
N-cyclohexyl-4-methylcyclohepta-1,3-diene-1-sulfinamide
CID 78027194
N-(5-propan-2-ylcyclohexa-2,4-dien-1-yl)methanesulfonamide
CID 90147875
5-(3-aminoprop-1-enyl)-N-cyclopentylcyclohexa-1,5-diene-1-sulfonamide
CID 90890370
9-amino-6-methylidene-N-propylnona-2,4-diene-2-sulfonamide
CID 91456208
N-(1-aminohexyl)-4-methylcyclohexa-2,4-diene-1-sulfonamide
CID 118490529
N-cyclohexylpenta-2,4-diene-2-sulfonamide
CID 123194677
5-(aminomethyl)-N-ethylcyclohexa-1,5-diene-1-sulfonamide
CID 129171306
6-methyl-7-[(1Z,3E)-4-methylhexa-1,3-dienyl]-2,3,4,5-tetrahydrothiazepine 1,1-dioxide
CID 135136567

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-methylcyclohexa-1,5-diene-1-sulfonamide?
The IUPAC name of N-cyclohexyl-2-methylcyclohexa-1,5-diene-1-sulfonamide (CID 143467549) is N-cyclohexyl-2-methylcyclohexa-1,5-diene-1-sulfonamide.
What is the SMILES notation for N-cyclohexyl-2-methylcyclohexa-1,5-diene-1-sulfonamide?
The canonical SMILES for N-cyclohexyl-2-methylcyclohexa-1,5-diene-1-sulfonamide is CC1=C(S(=O)(=O)NC2CCCCC2)C=CCC1.
What is the InChIKey of N-cyclohexyl-2-methylcyclohexa-1,5-diene-1-sulfonamide?
The InChIKey is ZDFHFPPPUXXFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2S/c1-11-7-5-6-10-13(11)17(15,16)14-12-8-3-2-4-9-12/h6,10,12,14H,2-5,7-9H2,1H3.
What are the key properties of N-cyclohexyl-2-methylcyclohexa-1,5-diene-1-sulfonamide?
N-cyclohexyl-2-methylcyclohexa-1,5-diene-1-sulfonamide has a molecular weight of 255.38 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-methylcyclohexa-1,5-diene-1-sulfonamide is sourced from PubChem (CID 143467549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).