N-methylcyclopenta-1,4-diene-1-sulfonamide

C6H9NO2S — CID 58109927

IUPACN-methylcyclopenta-1,4-diene-1-sulfonamide
SMILESCNS(=O)(=O)C1=CCC=C1
InChIInChI=1S/C6H9NO2S/c1-7-10(8,9)6-4-2-3-5-6/h2,4-5,7H,3H2,1H3
InChIKeyHHAQTGMKSPRJRO-UHFFFAOYSA-N
MW159.21 g/mol
LogP0.38
Rot. Bonds2

About N-methylcyclopenta-1,4-diene-1-sulfonamide

N-methylcyclopenta-1,4-diene-1-sulfonamide (PubChem CID 58109927) has the molecular formula C6H9NO2S and a molecular weight of 159.21 g/mol. Its IUPAC name is N-methylcyclopenta-1,4-diene-1-sulfonamide.

Molecular Properties

Compound NameN-methylcyclopenta-1,4-diene-1-sulfonamide
PubChem CID58109927
Molecular FormulaC6H9NO2S
Molecular Weight159.21 g/mol
Exact Mass159.04
IUPAC NameN-methylcyclopenta-1,4-diene-1-sulfonamide
SMILESCNS(=O)(=O)C1=CCC=C1
InChIInChI=1S/C6H9NO2S/c1-7-10(8,9)6-4-2-3-5-6/h2,4-5,7H,3H2,1H3
InChIKeyHHAQTGMKSPRJRO-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

(2Z,4Z)-3-fluoro-N-methylhepta-2,4-diene-2-sulfonamide
CID 141969935
5-fluoro-N-methylcyclohexa-1,3-diene-1-sulfonamide
CID 144797853
Cyclohepta-2,4,6-trienesulfonic acid, methylamide
CID 563175
Cyclopenta-1,3-diene-1-sulfonamide
CID 12936333
N-methylcyclohexa-1,3-diene-1-sulfonamide
CID 22282495
N-methylcyclopent-3-ene-1-sulfonamide
CID 70271145
N-methylcyclohexa-2,4-diene-1-sulfonamide
CID 70317895
N-methyl-6-sulfanylidenecyclohexa-1,3-diene-1-sulfonamide
CID 88599729
(Z)-N-methylhex-3-ene-3-sulfonamide
CID 89044993
N-methylcyclohexa-1,5-diene-1-sulfonamide
CID 89177335
(3E,5Z)-N,2-dimethylocta-3,5,7-triene-4-sulfonamide
CID 90058003
N,5,5-trimethylcyclohepta-1,3,6-triene-1-sulfonamide
CID 91240775

Frequently Asked Questions

What is the IUPAC name of N-methylcyclopenta-1,4-diene-1-sulfonamide?
The IUPAC name of N-methylcyclopenta-1,4-diene-1-sulfonamide (CID 58109927) is N-methylcyclopenta-1,4-diene-1-sulfonamide.
What is the SMILES notation for N-methylcyclopenta-1,4-diene-1-sulfonamide?
The canonical SMILES for N-methylcyclopenta-1,4-diene-1-sulfonamide is CNS(=O)(=O)C1=CCC=C1.
What is the InChIKey of N-methylcyclopenta-1,4-diene-1-sulfonamide?
The InChIKey is HHAQTGMKSPRJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2S/c1-7-10(8,9)6-4-2-3-5-6/h2,4-5,7H,3H2,1H3.
What are the key properties of N-methylcyclopenta-1,4-diene-1-sulfonamide?
N-methylcyclopenta-1,4-diene-1-sulfonamide 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-methylcyclopenta-1,4-diene-1-sulfonamide is sourced from PubChem (CID 58109927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).