ethane;(2Z,4E)-N-(4-methylcyclohexyl)hepta-2,4-diene-4-sulfonamide

C16H31NO2S — CID 143225625

IUPACethane;(2Z,4E)-N-(4-methylcyclohexyl)hepta-2,4-diene-4-sulfonamide
SMILESC/C=C\C(=C/CC)S(=O)(=O)NC1CCC(C)CC1.CC
InChIInChI=1S/C14H25NO2S.C2H6/c1-4-6-14(7-5-2)18(16,17)15-13-10-8-12(3)9-11-13;1-2/h4,6-7,12-13,15H,5,8-11H2,1-3H3;1-2H3/b6-4-,14-7+;
InChIKeyJYFBOVUXLAUWFL-JQCDVGGOSA-N
MW301.50 g/mol
LogP4.38
Rot. Bonds5

About ethane;(2Z,4E)-N-(4-methylcyclohexyl)hepta-2,4-diene-4-sulfonamide

ethane;(2Z,4E)-N-(4-methylcyclohexyl)hepta-2,4-diene-4-sulfonamide (PubChem CID 143225625) has the molecular formula C16H31NO2S and a molecular weight of 301.50 g/mol. Its IUPAC name is ethane;(2Z,4E)-N-(4-methylcyclohexyl)hepta-2,4-diene-4-sulfonamide.

Molecular Properties

Compound Nameethane;(2Z,4E)-N-(4-methylcyclohexyl)hepta-2,4-diene-4-sulfonamide
PubChem CID143225625
Molecular FormulaC16H31NO2S
Molecular Weight301.50 g/mol
Exact Mass301.21
IUPAC Nameethane;(2Z,4E)-N-(4-methylcyclohexyl)hepta-2,4-diene-4-sulfonamide
SMILESC/C=C\C(=C/CC)S(=O)(=O)NC1CCC(C)CC1.CC
InChIInChI=1S/C14H25NO2S.C2H6/c1-4-6-14(7-5-2)18(16,17)15-13-10-8-12(3)9-11-13;1-2/h4,6-7,12-13,15H,5,8-11H2,1-3H3;1-2H3/b6-4-,14-7+;
InChIKeyJYFBOVUXLAUWFL-JQCDVGGOSA-N
XLogP4.38
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.50
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(R)-N-[(E,1S)-1-cyclohexylhex-2-enyl]-2-methylpropane-2-sulfinamide
CID 135000883
(2E,4Z)-7,7,7-trifluoro-6-methyl-N-(4-methylcyclohexyl)hepta-2,4-diene-3-sulfonamide
CID 144195657
1,6-dimethyl-N-octylcyclohexa-2,4-diene-1-sulfonamide
CID 140368076
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
(3E,5Z)-N-cyclohexylocta-3,5-diene-4-sulfonamide
CID 143113200
ethane;N-(3-methylcyclohexyl)cyclohexa-1,5-diene-1-sulfinamide
CID 143777845
ethane;N-(3-methylcyclohexyl)cyclohexa-1,5-diene-1-sulfonamide
CID 143777848
(3E)-N-[(4-methylcyclohexyl)methyl]hexa-1,3,5-triene-3-sulfonamide
CID 144060927
N-[(6Z,8Z)-4-methylundeca-6,8-dien-2-yl]methanesulfonamide
CID 163592778
(2Z,4E)-N-(4-methylcyclohexyl)hepta-2,4-diene-4-sulfonamide
CID 143225626

Frequently Asked Questions

What is the IUPAC name of ethane;(2Z,4E)-N-(4-methylcyclohexyl)hepta-2,4-diene-4-sulfonamide?
The IUPAC name of ethane;(2Z,4E)-N-(4-methylcyclohexyl)hepta-2,4-diene-4-sulfonamide (CID 143225625) is ethane;(2Z,4E)-N-(4-methylcyclohexyl)hepta-2,4-diene-4-sulfonamide.
What is the SMILES notation for ethane;(2Z,4E)-N-(4-methylcyclohexyl)hepta-2,4-diene-4-sulfonamide?
The canonical SMILES for ethane;(2Z,4E)-N-(4-methylcyclohexyl)hepta-2,4-diene-4-sulfonamide is C/C=C\C(=C/CC)S(=O)(=O)NC1CCC(C)CC1.CC.
What is the InChIKey of ethane;(2Z,4E)-N-(4-methylcyclohexyl)hepta-2,4-diene-4-sulfonamide?
The InChIKey is JYFBOVUXLAUWFL-JQCDVGGOSA-N. The full InChI is InChI=1S/C14H25NO2S.C2H6/c1-4-6-14(7-5-2)18(16,17)15-13-10-8-12(3)9-11-13;1-2/h4,6-7,12-13,15H,5,8-11H2,1-3H3;1-2H3/b6-4-,14-7+;.
What are the key properties of ethane;(2Z,4E)-N-(4-methylcyclohexyl)hepta-2,4-diene-4-sulfonamide?
ethane;(2Z,4E)-N-(4-methylcyclohexyl)hepta-2,4-diene-4-sulfonamide has a molecular weight of 301.50 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2Z,4E)-N-(4-methylcyclohexyl)hepta-2,4-diene-4-sulfonamide is sourced from PubChem (CID 143225625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).