N-cyclopenta-1,4-dien-1-ylmethanesulfonamide

C6H9NO2S — CID 58571276

IUPACN-cyclopenta-1,4-dien-1-ylmethanesulfonamide
SMILESCS(=O)(=O)NC1=CCC=C1
InChIInChI=1S/C6H9NO2S/c1-10(8,9)7-6-4-2-3-5-6/h2,4-5,7H,3H2,1H3
InChIKeyFTTJPUIIVBRWIA-UHFFFAOYSA-N
MW159.21 g/mol
LogP0.38
Rot. Bonds2

About N-cyclopenta-1,4-dien-1-ylmethanesulfonamide

N-cyclopenta-1,4-dien-1-ylmethanesulfonamide (PubChem CID 58571276) has the molecular formula C6H9NO2S and a molecular weight of 159.21 g/mol. Its IUPAC name is N-cyclopenta-1,4-dien-1-ylmethanesulfonamide.

Molecular Properties

Compound NameN-cyclopenta-1,4-dien-1-ylmethanesulfonamide
PubChem CID58571276
Molecular FormulaC6H9NO2S
Molecular Weight159.21 g/mol
Exact Mass159.04
IUPAC NameN-cyclopenta-1,4-dien-1-ylmethanesulfonamide
SMILESCS(=O)(=O)NC1=CCC=C1
InChIInChI=1S/C6H9NO2S/c1-10(8,9)7-6-4-2-3-5-6/h2,4-5,7H,3H2,1H3
InChIKeyFTTJPUIIVBRWIA-UHFFFAOYSA-N
XLogP0.38
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.21
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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
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-(4-methylcyclohexa-1,5-dien-1-yl)methanesulfonamide
CID 68265245
3-ethyl-2H-thiazine 1,1-dioxide
CID 89007432
(3E,5E)-6-aminohepta-3,5-diene-3-sulfonamide
CID 89034894
N-[(2E)-penta-2,4-dien-2-yl]methanesulfonamide
CID 90061350
N-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)methanesulfonamide
CID 90686521
N-[(2E,4Z)-hepta-2,4-dien-3-yl]methanesulfonamide
CID 118029939
N-(3,4-dimethylidenecyclohexa-1,5-dien-1-yl)methanesulfonamide
CID 123560308

Frequently Asked Questions

What is the IUPAC name of N-cyclopenta-1,4-dien-1-ylmethanesulfonamide?
The IUPAC name of N-cyclopenta-1,4-dien-1-ylmethanesulfonamide (CID 58571276) is N-cyclopenta-1,4-dien-1-ylmethanesulfonamide.
What is the SMILES notation for N-cyclopenta-1,4-dien-1-ylmethanesulfonamide?
The canonical SMILES for N-cyclopenta-1,4-dien-1-ylmethanesulfonamide is CS(=O)(=O)NC1=CCC=C1.
What is the InChIKey of N-cyclopenta-1,4-dien-1-ylmethanesulfonamide?
The InChIKey is FTTJPUIIVBRWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2S/c1-10(8,9)7-6-4-2-3-5-6/h2,4-5,7H,3H2,1H3.
What are the key properties of N-cyclopenta-1,4-dien-1-ylmethanesulfonamide?
N-cyclopenta-1,4-dien-1-ylmethanesulfonamide has a molecular weight of 159.21 g/mol, XLogP of 0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopenta-1,4-dien-1-ylmethanesulfonamide is sourced from PubChem (CID 58571276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).