N-[(2E,4Z)-hepta-2,4-dien-3-yl]methanesulfonamide

C8H15NO2S — CID 118029939

IUPACN-[(2E,4Z)-hepta-2,4-dien-3-yl]methanesulfonamide
SMILESC/C=C(\C=C/CC)NS(C)(=O)=O
InChIInChI=1S/C8H15NO2S/c1-4-6-7-8(5-2)9-12(3,10)11/h5-7,9H,4H2,1-3H3/b7-6-,8-5+
InChIKeyVOKOGFCIZRBMOT-WNXMRAAYSA-N
MW189.28 g/mol
LogP1.41
Rot. Bonds4

About N-[(2E,4Z)-hepta-2,4-dien-3-yl]methanesulfonamide

N-[(2E,4Z)-hepta-2,4-dien-3-yl]methanesulfonamide (PubChem CID 118029939) has the molecular formula C8H15NO2S and a molecular weight of 189.28 g/mol. Its IUPAC name is N-[(2E,4Z)-hepta-2,4-dien-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(2E,4Z)-hepta-2,4-dien-3-yl]methanesulfonamide
PubChem CID118029939
Molecular FormulaC8H15NO2S
Molecular Weight189.28 g/mol
Exact Mass189.08
IUPAC NameN-[(2E,4Z)-hepta-2,4-dien-3-yl]methanesulfonamide
SMILESC/C=C(\C=C/CC)NS(C)(=O)=O
InChIInChI=1S/C8H15NO2S/c1-4-6-7-8(5-2)9-12(3,10)11/h5-7,9H,4H2,1-3H3/b7-6-,8-5+
InChIKeyVOKOGFCIZRBMOT-WNXMRAAYSA-N
XLogP1.41
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 51.41
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

N-[(2Z,4Z,6E)-4-fluoronona-2,4,6-trien-5-yl]methanesulfonamide
CID 88266989
N-[(3E)-3-fluorohexa-1,3-dien-2-yl]methanesulfonamide
CID 146320249
3-tert-butyl-2H-thiazine 1,1-dioxide
CID 20804991
N-cyclohexa-1,5-dien-1-ylmethanesulfonamide
CID 22066340
N-cyclopenta-1,3-dien-1-ylmethanesulfonamide
CID 22082527
N-cyclohexa-1,5-dien-1-ylethanesulfonamide
CID 22261328
N-cyclopenta-1,4-dien-1-ylmethanesulfonamide
CID 58571276
N-[4-amino-4-(methanesulfonamido)cyclohexa-1,5-dien-1-yl]methanesulfonamide
CID 68146231
N-(4-methylcyclohexa-1,5-dien-1-yl)methanesulfonamide
CID 68265245
N-(3-ethylcyclohexa-1,3-dien-1-yl)methanesulfonamide
CID 70223695
3-ethyl-2H-thiazine 1,1-dioxide
CID 89007432
(3E,5E)-6-aminohepta-3,5-diene-3-sulfonamide
CID 89034894

Frequently Asked Questions

What is the IUPAC name of N-[(2E,4Z)-hepta-2,4-dien-3-yl]methanesulfonamide?
The IUPAC name of N-[(2E,4Z)-hepta-2,4-dien-3-yl]methanesulfonamide (CID 118029939) is N-[(2E,4Z)-hepta-2,4-dien-3-yl]methanesulfonamide.
What is the SMILES notation for N-[(2E,4Z)-hepta-2,4-dien-3-yl]methanesulfonamide?
The canonical SMILES for N-[(2E,4Z)-hepta-2,4-dien-3-yl]methanesulfonamide is C/C=C(\C=C/CC)NS(C)(=O)=O.
What is the InChIKey of N-[(2E,4Z)-hepta-2,4-dien-3-yl]methanesulfonamide?
The InChIKey is VOKOGFCIZRBMOT-WNXMRAAYSA-N. The full InChI is InChI=1S/C8H15NO2S/c1-4-6-7-8(5-2)9-12(3,10)11/h5-7,9H,4H2,1-3H3/b7-6-,8-5+.
What are the key properties of N-[(2E,4Z)-hepta-2,4-dien-3-yl]methanesulfonamide?
N-[(2E,4Z)-hepta-2,4-dien-3-yl]methanesulfonamide has a molecular weight of 189.28 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E,4Z)-hepta-2,4-dien-3-yl]methanesulfonamide is sourced from PubChem (CID 118029939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).