N-[(2E)-penta-2,4-dien-2-yl]methanesulfonamide

C6H11NO2S — CID 90061350

IUPACN-[(2E)-penta-2,4-dien-2-yl]methanesulfonamide
SMILESC=C/C=C(\C)NS(C)(=O)=O
InChIInChI=1S/C6H11NO2S/c1-4-5-6(2)7-10(3,8)9/h4-5,7H,1H2,2-3H3/b6-5+
InChIKeyWJPPGDTVKWXKMA-AATRIKPKSA-N
MW161.23 g/mol
LogP0.63
Rot. Bonds3

About N-[(2E)-penta-2,4-dien-2-yl]methanesulfonamide

N-[(2E)-penta-2,4-dien-2-yl]methanesulfonamide (PubChem CID 90061350) has the molecular formula C6H11NO2S and a molecular weight of 161.23 g/mol. Its IUPAC name is N-[(2E)-penta-2,4-dien-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(2E)-penta-2,4-dien-2-yl]methanesulfonamide
PubChem CID90061350
Molecular FormulaC6H11NO2S
Molecular Weight161.23 g/mol
Exact Mass161.05
IUPAC NameN-[(2E)-penta-2,4-dien-2-yl]methanesulfonamide
SMILESC=C/C=C(\C)NS(C)(=O)=O
InChIInChI=1S/C6H11NO2S/c1-4-5-6(2)7-10(3,8)9/h4-5,7H,1H2,2-3H3/b6-5+
InChIKeyWJPPGDTVKWXKMA-AATRIKPKSA-N
XLogP0.63
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.23
LogP ≤ 50.63
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-(4-fluorohexa-2,4-dien-3-yl)methanesulfonamide
CID 91271231
N-cyclopenta-1,3-dien-1-ylmethanesulfonamide
CID 22082527
N-cyclopenta-1,4-dien-1-ylmethanesulfonamide
CID 58571276
benzene;N-phenylmethanesulfonamide;yttrium
CID 58905407
(3E,5E)-6-aminohepta-1,3,5-triene-4-sulfonic acid
CID 88558498
(2Z,4E)-4-aminohexa-2,4-diene-1-sulfonamide
CID 89034900
(2Z,4E)-5-aminohexa-2,4-diene-1-sulfonamide
CID 89125923
N-[(E)-pent-2-en-4-yn-2-yl]methanesulfonamide
CID 89319221
3-methyl-2H-thiazine 1,1-dioxide
CID 89687642
N-prop-1-en-2-ylmethanesulfonamide
CID 90209425
N-penta-1,3-dien-2-ylethanesulfonamide
CID 90943645
N-[(2E,4Z)-hepta-2,4-dien-3-yl]methanesulfonamide
CID 118029939

Frequently Asked Questions

What is the IUPAC name of N-[(2E)-penta-2,4-dien-2-yl]methanesulfonamide?
The IUPAC name of N-[(2E)-penta-2,4-dien-2-yl]methanesulfonamide (CID 90061350) is N-[(2E)-penta-2,4-dien-2-yl]methanesulfonamide.
What is the SMILES notation for N-[(2E)-penta-2,4-dien-2-yl]methanesulfonamide?
The canonical SMILES for N-[(2E)-penta-2,4-dien-2-yl]methanesulfonamide is C=C/C=C(\C)NS(C)(=O)=O.
What is the InChIKey of N-[(2E)-penta-2,4-dien-2-yl]methanesulfonamide?
The InChIKey is WJPPGDTVKWXKMA-AATRIKPKSA-N. The full InChI is InChI=1S/C6H11NO2S/c1-4-5-6(2)7-10(3,8)9/h4-5,7H,1H2,2-3H3/b6-5+.
What are the key properties of N-[(2E)-penta-2,4-dien-2-yl]methanesulfonamide?
N-[(2E)-penta-2,4-dien-2-yl]methanesulfonamide has a molecular weight of 161.23 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E)-penta-2,4-dien-2-yl]methanesulfonamide is sourced from PubChem (CID 90061350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).