(4S)-N,4-dimethylcyclohexa-1,5-diene-1-sulfonamide

C8H13NO2S — CID 89024059

IUPAC(4S)-N,4-dimethylcyclohexa-1,5-diene-1-sulfonamide
SMILESCNS(=O)(=O)C1=CC[C@H](C)C=C1
InChIInChI=1S/C8H13NO2S/c1-7-3-5-8(6-4-7)12(10,11)9-2/h3,5-7,9H,4H2,1-2H3/t7-/m1/s1
InChIKeyZXKFJFMFROHABU-SSDOTTSWSA-N
MW187.26 g/mol
LogP1.02
Rot. Bonds2

About (4S)-N,4-dimethylcyclohexa-1,5-diene-1-sulfonamide

(4S)-N,4-dimethylcyclohexa-1,5-diene-1-sulfonamide (PubChem CID 89024059) has the molecular formula C8H13NO2S and a molecular weight of 187.26 g/mol. Its IUPAC name is (4S)-N,4-dimethylcyclohexa-1,5-diene-1-sulfonamide.

Molecular Properties

Compound Name(4S)-N,4-dimethylcyclohexa-1,5-diene-1-sulfonamide
PubChem CID89024059
Molecular FormulaC8H13NO2S
Molecular Weight187.26 g/mol
Exact Mass187.07
IUPAC Name(4S)-N,4-dimethylcyclohexa-1,5-diene-1-sulfonamide
SMILESCNS(=O)(=O)C1=CC[C@H](C)C=C1
InChIInChI=1S/C8H13NO2S/c1-7-3-5-8(6-4-7)12(10,11)9-2/h3,5-7,9H,4H2,1-2H3/t7-/m1/s1
InChIKeyZXKFJFMFROHABU-SSDOTTSWSA-N
XLogP1.02
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4S)-N,4-dimethylcyclohexa-1,5-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 (4S)-N,4-dimethylcyclohexa-1,5-diene-1-sulfonamide?
The IUPAC name of (4S)-N,4-dimethylcyclohexa-1,5-diene-1-sulfonamide (CID 89024059) is (4S)-N,4-dimethylcyclohexa-1,5-diene-1-sulfonamide.
What is the SMILES notation for (4S)-N,4-dimethylcyclohexa-1,5-diene-1-sulfonamide?
The canonical SMILES for (4S)-N,4-dimethylcyclohexa-1,5-diene-1-sulfonamide is CNS(=O)(=O)C1=CC[C@H](C)C=C1.
What is the InChIKey of (4S)-N,4-dimethylcyclohexa-1,5-diene-1-sulfonamide?
The InChIKey is ZXKFJFMFROHABU-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H13NO2S/c1-7-3-5-8(6-4-7)12(10,11)9-2/h3,5-7,9H,4H2,1-2H3/t7-/m1/s1.
What are the key properties of (4S)-N,4-dimethylcyclohexa-1,5-diene-1-sulfonamide?
(4S)-N,4-dimethylcyclohexa-1,5-diene-1-sulfonamide has a molecular weight of 187.26 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N,4-dimethylcyclohexa-1,5-diene-1-sulfonamide is sourced from PubChem (CID 89024059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).