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

C11H17NO2S — CID 90721165

IUPACN,N,5,5-tetramethylcyclohepta-1,3,6-triene-1-sulfonamide
SMILESCN(C)S(=O)(=O)C1=CC=CC(C)(C)C=C1
InChIInChI=1S/C11H17NO2S/c1-11(2)8-5-6-10(7-9-11)15(13,14)12(3)4/h5-9H,1-4H3
InChIKeyBYPDTJRDMXHZIL-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.91
Rot. Bonds2

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

N,N,5,5-tetramethylcyclohepta-1,3,6-triene-1-sulfonamide (PubChem CID 90721165) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is N,N,5,5-tetramethylcyclohepta-1,3,6-triene-1-sulfonamide.

Molecular Properties

Compound NameN,N,5,5-tetramethylcyclohepta-1,3,6-triene-1-sulfonamide
PubChem CID90721165
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC NameN,N,5,5-tetramethylcyclohepta-1,3,6-triene-1-sulfonamide
SMILESCN(C)S(=O)(=O)C1=CC=CC(C)(C)C=C1
InChIInChI=1S/C11H17NO2S/c1-11(2)8-5-6-10(7-9-11)15(13,14)12(3)4/h5-9H,1-4H3
InChIKeyBYPDTJRDMXHZIL-UHFFFAOYSA-N
XLogP1.91
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N,5,5-tetramethylcyclohepta-1,3,6-triene-1-sulfonamide?
The IUPAC name of N,N,5,5-tetramethylcyclohepta-1,3,6-triene-1-sulfonamide (CID 90721165) is N,N,5,5-tetramethylcyclohepta-1,3,6-triene-1-sulfonamide.
What is the SMILES notation for N,N,5,5-tetramethylcyclohepta-1,3,6-triene-1-sulfonamide?
The canonical SMILES for N,N,5,5-tetramethylcyclohepta-1,3,6-triene-1-sulfonamide is CN(C)S(=O)(=O)C1=CC=CC(C)(C)C=C1.
What is the InChIKey of N,N,5,5-tetramethylcyclohepta-1,3,6-triene-1-sulfonamide?
The InChIKey is BYPDTJRDMXHZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-11(2)8-5-6-10(7-9-11)15(13,14)12(3)4/h5-9H,1-4H3.
What are the key properties of N,N,5,5-tetramethylcyclohepta-1,3,6-triene-1-sulfonamide?
N,N,5,5-tetramethylcyclohepta-1,3,6-triene-1-sulfonamide has a molecular weight of 227.33 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,5,5-tetramethylcyclohepta-1,3,6-triene-1-sulfonamide is sourced from PubChem (CID 90721165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).