N,N,1,4-tetramethylcyclohexa-2,4-diene-1-sulfonamide

C10H17NO2S — CID 151534363

IUPACN,N,1,4-tetramethylcyclohexa-2,4-diene-1-sulfonamide
SMILESCC1=CCC(C)(S(=O)(=O)N(C)C)C=C1
InChIInChI=1S/C10H17NO2S/c1-9-5-7-10(2,8-6-9)14(12,13)11(3)4/h5-7H,8H2,1-4H3
InChIKeyPXDPCBKBAKQTOD-UHFFFAOYSA-N
MW215.32 g/mol
LogP1.54
Rot. Bonds2

About N,N,1,4-tetramethylcyclohexa-2,4-diene-1-sulfonamide

N,N,1,4-tetramethylcyclohexa-2,4-diene-1-sulfonamide (PubChem CID 151534363) has the molecular formula C10H17NO2S and a molecular weight of 215.32 g/mol. Its IUPAC name is N,N,1,4-tetramethylcyclohexa-2,4-diene-1-sulfonamide.

Molecular Properties

Compound NameN,N,1,4-tetramethylcyclohexa-2,4-diene-1-sulfonamide
PubChem CID151534363
Molecular FormulaC10H17NO2S
Molecular Weight215.32 g/mol
Exact Mass215.10
IUPAC NameN,N,1,4-tetramethylcyclohexa-2,4-diene-1-sulfonamide
SMILESCC1=CCC(C)(S(=O)(=O)N(C)C)C=C1
InChIInChI=1S/C10H17NO2S/c1-9-5-7-10(2,8-6-9)14(12,13)11(3)4/h5-7H,8H2,1-4H3
InChIKeyPXDPCBKBAKQTOD-UHFFFAOYSA-N
XLogP1.54
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N,N,1,4-tetramethylcyclohexa-2,4-diene-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N,1,4-tetramethylcyclohexa-2,4-diene-1-sulfonamide?
The IUPAC name of N,N,1,4-tetramethylcyclohexa-2,4-diene-1-sulfonamide (CID 151534363) is N,N,1,4-tetramethylcyclohexa-2,4-diene-1-sulfonamide.
What is the SMILES notation for N,N,1,4-tetramethylcyclohexa-2,4-diene-1-sulfonamide?
The canonical SMILES for N,N,1,4-tetramethylcyclohexa-2,4-diene-1-sulfonamide is CC1=CCC(C)(S(=O)(=O)N(C)C)C=C1.
What is the InChIKey of N,N,1,4-tetramethylcyclohexa-2,4-diene-1-sulfonamide?
The InChIKey is PXDPCBKBAKQTOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2S/c1-9-5-7-10(2,8-6-9)14(12,13)11(3)4/h5-7H,8H2,1-4H3.
What are the key properties of N,N,1,4-tetramethylcyclohexa-2,4-diene-1-sulfonamide?
N,N,1,4-tetramethylcyclohexa-2,4-diene-1-sulfonamide has a molecular weight of 215.32 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,1,4-tetramethylcyclohexa-2,4-diene-1-sulfonamide is sourced from PubChem (CID 151534363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).