N-(3-methylcyclohexyl)cyclohexa-1,5-diene-1-sulfonamide

C13H21NO2S — CID 143777849

IUPACN-(3-methylcyclohexyl)cyclohexa-1,5-diene-1-sulfonamide
SMILESCC1CCCC(NS(=O)(=O)C2=CCCC=C2)C1
InChIInChI=1S/C13H21NO2S/c1-11-6-5-7-12(10-11)14-17(15,16)13-8-3-2-4-9-13/h3,8-9,11-12,14H,2,4-7,10H2,1H3
InChIKeyJDESQQSDXLXSQH-UHFFFAOYSA-N
MW255.38 g/mol
LogP2.72
Rot. Bonds3

About N-(3-methylcyclohexyl)cyclohexa-1,5-diene-1-sulfonamide

N-(3-methylcyclohexyl)cyclohexa-1,5-diene-1-sulfonamide (PubChem CID 143777849) has the molecular formula C13H21NO2S and a molecular weight of 255.38 g/mol. Its IUPAC name is N-(3-methylcyclohexyl)cyclohexa-1,5-diene-1-sulfonamide.

Molecular Properties

Compound NameN-(3-methylcyclohexyl)cyclohexa-1,5-diene-1-sulfonamide
PubChem CID143777849
Molecular FormulaC13H21NO2S
Molecular Weight255.38 g/mol
Exact Mass255.13
IUPAC NameN-(3-methylcyclohexyl)cyclohexa-1,5-diene-1-sulfonamide
SMILESCC1CCCC(NS(=O)(=O)C2=CCCC=C2)C1
InChIInChI=1S/C13H21NO2S/c1-11-6-5-7-12(10-11)14-17(15,16)13-8-3-2-4-9-13/h3,8-9,11-12,14H,2,4-7,10H2,1H3
InChIKeyJDESQQSDXLXSQH-UHFFFAOYSA-N
XLogP2.72
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 ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[4-(Aminomethyl)cyclohexyl]methyl]-4-fluorocyclohexa-2,4-diene-1-sulfonamide
CID 153821365
N-[(1S,2S)-2-fluoro-2-(4-fluorocyclohexa-2,4-dien-1-yl)cyclohexyl]propane-2-sulfonamide
CID 164004836
(S)-N-[(R)-[(1S)-cyclohex-2-en-1-yl]-cyclohexylmethyl]-2-methylpropane-2-sulfinamide
CID 134941099
(2E,4Z)-7,7,7-trifluoro-6-methyl-N-(4-methylcyclohexyl)hepta-2,4-diene-3-sulfonamide
CID 144195657
N-[(1R,3aR,7aR)-3a,4,5,6,7,7a-hexahydro-1H-inden-1-yl]-2-methylpropane-2-sulfonamide
CID 56839416
N-[(2Z)-cyclooct-2-en-1-yl]-4-methylcyclohexane-1-sulfonamide
CID 58760675
(7-amino-6,7,8,8a-tetrahydro-5H-naphthalen-1-ylidene)methanesulfonamide
CID 67791945
N-cyclooct-2-en-1-yl-4-methylcyclohexane-1-sulfonamide
CID 72415444
4-methyl-1-N-(2-methylcyclohexyl)cyclohexa-1,5-diene-1,4-disulfonamide
CID 141634081
2-(8H-benzo[7]annulen-7-yl)-N-(cyclohexylmethyl)propane-1-sulfonamide
CID 141984065
(3E,5Z)-N-cyclohexylocta-3,5-diene-4-sulfonamide
CID 143113200
ethane;(2Z,4E)-N-(4-methylcyclohexyl)hepta-2,4-diene-4-sulfonamide
CID 143225625

Frequently Asked Questions

What is the IUPAC name of N-(3-methylcyclohexyl)cyclohexa-1,5-diene-1-sulfonamide?
The IUPAC name of N-(3-methylcyclohexyl)cyclohexa-1,5-diene-1-sulfonamide (CID 143777849) is N-(3-methylcyclohexyl)cyclohexa-1,5-diene-1-sulfonamide.
What is the SMILES notation for N-(3-methylcyclohexyl)cyclohexa-1,5-diene-1-sulfonamide?
The canonical SMILES for N-(3-methylcyclohexyl)cyclohexa-1,5-diene-1-sulfonamide is CC1CCCC(NS(=O)(=O)C2=CCCC=C2)C1.
What is the InChIKey of N-(3-methylcyclohexyl)cyclohexa-1,5-diene-1-sulfonamide?
The InChIKey is JDESQQSDXLXSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2S/c1-11-6-5-7-12(10-11)14-17(15,16)13-8-3-2-4-9-13/h3,8-9,11-12,14H,2,4-7,10H2,1H3.
What are the key properties of N-(3-methylcyclohexyl)cyclohexa-1,5-diene-1-sulfonamide?
N-(3-methylcyclohexyl)cyclohexa-1,5-diene-1-sulfonamide has a molecular weight of 255.38 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylcyclohexyl)cyclohexa-1,5-diene-1-sulfonamide is sourced from PubChem (CID 143777849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).