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

C19H39NO2S — CID 143777848

IUPACethane;N-(3-methylcyclohexyl)cyclohexa-1,5-diene-1-sulfonamide
SMILESCC.CC.CC.CC1CCCC(NS(=O)(=O)C2=CCCC=C2)C1
InChIInChI=1S/C13H21NO2S.3C2H6/c1-11-6-5-7-12(10-11)14-17(15,16)13-8-3-2-4-9-13;3*1-2/h3,8-9,11-12,14H,2,4-7,10H2,1H3;3*1-2H3
InChIKeyZNELXLOPRRVBMH-UHFFFAOYSA-N
MW345.59 g/mol
LogP5.80
Rot. Bonds3

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

ethane;N-(3-methylcyclohexyl)cyclohexa-1,5-diene-1-sulfonamide (PubChem CID 143777848) has the molecular formula C19H39NO2S and a molecular weight of 345.59 g/mol. Its IUPAC name is ethane;N-(3-methylcyclohexyl)cyclohexa-1,5-diene-1-sulfonamide.

Molecular Properties

Compound Nameethane;N-(3-methylcyclohexyl)cyclohexa-1,5-diene-1-sulfonamide
PubChem CID143777848
Molecular FormulaC19H39NO2S
Molecular Weight345.59 g/mol
Exact Mass345.27
IUPAC Nameethane;N-(3-methylcyclohexyl)cyclohexa-1,5-diene-1-sulfonamide
SMILESCC.CC.CC.CC1CCCC(NS(=O)(=O)C2=CCCC=C2)C1
InChIInChI=1S/C13H21NO2S.3C2H6/c1-11-6-5-7-12(10-11)14-17(15,16)13-8-3-2-4-9-13;3*1-2/h3,8-9,11-12,14H,2,4-7,10H2,1H3;3*1-2H3
InChIKeyZNELXLOPRRVBMH-UHFFFAOYSA-N
XLogP5.80
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.59
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2E,1S,4S)-N,N'-bis-(tert-butylsulfonyl)-1,4-dicyclohexyl-but-2-ene-1,4-diamine
CID 101396860
(S)-N-[(R)-[(1S)-cyclohex-2-en-1-yl]-cyclohexylmethyl]-2-methylpropane-2-sulfinamide
CID 134941099
(R)-N-[(E,2S)-1-cyclohexylhept-3-en-2-yl]-2-methylpropane-2-sulfinamide
CID 134941850
N-[(E,1R,4R)-4-(tert-butylsulfonylamino)-1,4-dicyclohexylbut-2-enyl]-2-methylpropane-2-sulfonamide
CID 134999210
(2E,4Z)-7,7,7-trifluoro-6-methyl-N-(4-methylcyclohexyl)hepta-2,4-diene-3-sulfonamide
CID 144195657
(7-amino-6,7,8,8a-tetrahydro-5H-naphthalen-1-ylidene)methanesulfonamide
CID 67791945
N-cyclooctyl-1,6-dimethylcyclohexa-2,4-diene-1-sulfonamide
CID 140397514
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
ethane;(2Z,4E)-N-(4-methylcyclohexyl)hepta-2,4-diene-4-sulfonamide
CID 143225625
N-cyclohexyl-2-methylcyclohexa-1,5-diene-1-sulfonamide
CID 143467549
ethane;N-(3-methylcyclohexyl)cyclohexa-1,5-diene-1-sulfinamide
CID 143777845

Frequently Asked Questions

What is the IUPAC name of ethane;N-(3-methylcyclohexyl)cyclohexa-1,5-diene-1-sulfonamide?
The IUPAC name of ethane;N-(3-methylcyclohexyl)cyclohexa-1,5-diene-1-sulfonamide (CID 143777848) is ethane;N-(3-methylcyclohexyl)cyclohexa-1,5-diene-1-sulfonamide.
What is the SMILES notation for ethane;N-(3-methylcyclohexyl)cyclohexa-1,5-diene-1-sulfonamide?
The canonical SMILES for ethane;N-(3-methylcyclohexyl)cyclohexa-1,5-diene-1-sulfonamide is CC.CC.CC.CC1CCCC(NS(=O)(=O)C2=CCCC=C2)C1.
What is the InChIKey of ethane;N-(3-methylcyclohexyl)cyclohexa-1,5-diene-1-sulfonamide?
The InChIKey is ZNELXLOPRRVBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2S.3C2H6/c1-11-6-5-7-12(10-11)14-17(15,16)13-8-3-2-4-9-13;3*1-2/h3,8-9,11-12,14H,2,4-7,10H2,1H3;3*1-2H3.
What are the key properties of ethane;N-(3-methylcyclohexyl)cyclohexa-1,5-diene-1-sulfonamide?
ethane;N-(3-methylcyclohexyl)cyclohexa-1,5-diene-1-sulfonamide has a molecular weight of 345.59 g/mol, XLogP of 5.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(3-methylcyclohexyl)cyclohexa-1,5-diene-1-sulfonamide is sourced from PubChem (CID 143777848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).