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

C14H25NO2S — CID 143225626

IUPAC(2Z,4E)-N-(4-methylcyclohexyl)hepta-2,4-diene-4-sulfonamide
SMILESC/C=C\C(=C/CC)S(=O)(=O)NC1CCC(C)CC1
InChIInChI=1S/C14H25NO2S/c1-4-6-14(7-5-2)18(16,17)15-13-10-8-12(3)9-11-13/h4,6-7,12-13,15H,5,8-11H2,1-3H3/b6-4-,14-7+
InChIKeyXMQFQVSOLCUYNK-HERXPTLBSA-N
MW271.43 g/mol
LogP3.35
Rot. Bonds5

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

(2Z,4E)-N-(4-methylcyclohexyl)hepta-2,4-diene-4-sulfonamide (PubChem CID 143225626) has the molecular formula C14H25NO2S and a molecular weight of 271.43 g/mol. Its IUPAC name is (2Z,4E)-N-(4-methylcyclohexyl)hepta-2,4-diene-4-sulfonamide.

Molecular Properties

Compound Name(2Z,4E)-N-(4-methylcyclohexyl)hepta-2,4-diene-4-sulfonamide
PubChem CID143225626
Molecular FormulaC14H25NO2S
Molecular Weight271.43 g/mol
Exact Mass271.16
IUPAC Name(2Z,4E)-N-(4-methylcyclohexyl)hepta-2,4-diene-4-sulfonamide
SMILESC/C=C\C(=C/CC)S(=O)(=O)NC1CCC(C)CC1
InChIInChI=1S/C14H25NO2S/c1-4-6-14(7-5-2)18(16,17)15-13-10-8-12(3)9-11-13/h4,6-7,12-13,15H,5,8-11H2,1-3H3/b6-4-,14-7+
InChIKeyXMQFQVSOLCUYNK-HERXPTLBSA-N
XLogP3.35
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 53.35
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

(2E,4Z)-7,7,7-trifluoro-6-methyl-N-(4-methylcyclohexyl)hepta-2,4-diene-3-sulfonamide
CID 144195657
4-methyl-1-N-(2-methylcyclohexyl)cyclohexa-1,5-diene-1,4-disulfonamide
CID 141634081
(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
N-cyclohexyl-2-methylcyclohexa-1,5-diene-1-sulfonamide
CID 143467549
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
N-[(E)-3-cyclohexylprop-2-enyl]-2-methylpropane-2-sulfonamide
CID 101566531
N-(1-cyclohex-2-en-1-ylbut-3-enyl)-2-methylpropane-2-sulfinamide
CID 102107435
N-[(1R)-1-[(1S)-cyclohex-2-en-1-yl]propyl]-2-methylpropane-2-sulfinamide
CID 102473484

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-N-(4-methylcyclohexyl)hepta-2,4-diene-4-sulfonamide?
The IUPAC name of (2Z,4E)-N-(4-methylcyclohexyl)hepta-2,4-diene-4-sulfonamide (CID 143225626) is (2Z,4E)-N-(4-methylcyclohexyl)hepta-2,4-diene-4-sulfonamide.
What is the SMILES notation for (2Z,4E)-N-(4-methylcyclohexyl)hepta-2,4-diene-4-sulfonamide?
The canonical SMILES for (2Z,4E)-N-(4-methylcyclohexyl)hepta-2,4-diene-4-sulfonamide is C/C=C\C(=C/CC)S(=O)(=O)NC1CCC(C)CC1.
What is the InChIKey of (2Z,4E)-N-(4-methylcyclohexyl)hepta-2,4-diene-4-sulfonamide?
The InChIKey is XMQFQVSOLCUYNK-HERXPTLBSA-N. The full InChI is InChI=1S/C14H25NO2S/c1-4-6-14(7-5-2)18(16,17)15-13-10-8-12(3)9-11-13/h4,6-7,12-13,15H,5,8-11H2,1-3H3/b6-4-,14-7+.
What are the key properties of (2Z,4E)-N-(4-methylcyclohexyl)hepta-2,4-diene-4-sulfonamide?
(2Z,4E)-N-(4-methylcyclohexyl)hepta-2,4-diene-4-sulfonamide has a molecular weight of 271.43 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-N-(4-methylcyclohexyl)hepta-2,4-diene-4-sulfonamide is sourced from PubChem (CID 143225626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).