N,5,5-trimethylcyclohepta-1,3,6-triene-1-sulfonamide

C10H15NO2S — CID 91240775

IUPACN,5,5-trimethylcyclohepta-1,3,6-triene-1-sulfonamide
SMILESCNS(=O)(=O)C1=CC=CC(C)(C)C=C1
InChIInChI=1S/C10H15NO2S/c1-10(2)7-4-5-9(6-8-10)14(12,13)11-3/h4-8,11H,1-3H3
InChIKeyYQLQJVRJKYLITE-UHFFFAOYSA-N
MW213.30 g/mol
LogP1.57
Rot. Bonds2

About N,5,5-trimethylcyclohepta-1,3,6-triene-1-sulfonamide

N,5,5-trimethylcyclohepta-1,3,6-triene-1-sulfonamide (PubChem CID 91240775) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is N,5,5-trimethylcyclohepta-1,3,6-triene-1-sulfonamide.

Molecular Properties

Compound NameN,5,5-trimethylcyclohepta-1,3,6-triene-1-sulfonamide
PubChem CID91240775
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC NameN,5,5-trimethylcyclohepta-1,3,6-triene-1-sulfonamide
SMILESCNS(=O)(=O)C1=CC=CC(C)(C)C=C1
InChIInChI=1S/C10H15NO2S/c1-10(2)7-4-5-9(6-8-10)14(12,13)11-3/h4-8,11H,1-3H3
InChIKeyYQLQJVRJKYLITE-UHFFFAOYSA-N
XLogP1.57
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,5,5-trimethylcyclohepta-1,3,6-triene-1-sulfonamide?
The IUPAC name of N,5,5-trimethylcyclohepta-1,3,6-triene-1-sulfonamide (CID 91240775) is N,5,5-trimethylcyclohepta-1,3,6-triene-1-sulfonamide.
What is the SMILES notation for N,5,5-trimethylcyclohepta-1,3,6-triene-1-sulfonamide?
The canonical SMILES for N,5,5-trimethylcyclohepta-1,3,6-triene-1-sulfonamide is CNS(=O)(=O)C1=CC=CC(C)(C)C=C1.
What is the InChIKey of N,5,5-trimethylcyclohepta-1,3,6-triene-1-sulfonamide?
The InChIKey is YQLQJVRJKYLITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-10(2)7-4-5-9(6-8-10)14(12,13)11-3/h4-8,11H,1-3H3.
What are the key properties of N,5,5-trimethylcyclohepta-1,3,6-triene-1-sulfonamide?
N,5,5-trimethylcyclohepta-1,3,6-triene-1-sulfonamide has a molecular weight of 213.30 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,5,5-trimethylcyclohepta-1,3,6-triene-1-sulfonamide is sourced from PubChem (CID 91240775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).