5,5-dimethylcyclohexa-1,3-diene-1-sulfonamide

C8H13NO2S — CID 67245991

IUPAC5,5-dimethylcyclohexa-1,3-diene-1-sulfonamide
SMILESCC1(C)C=CC=C(S(N)(=O)=O)C1
InChIInChI=1S/C8H13NO2S/c1-8(2)5-3-4-7(6-8)12(9,10)11/h3-5H,6H2,1-2H3,(H2,9,10,11)
InChIKeyKFXVVNZNIQHRRF-UHFFFAOYSA-N
MW187.26 g/mol
LogP1.14
Rot. Bonds1

About 5,5-dimethylcyclohexa-1,3-diene-1-sulfonamide

5,5-dimethylcyclohexa-1,3-diene-1-sulfonamide (PubChem CID 67245991) has the molecular formula C8H13NO2S and a molecular weight of 187.26 g/mol. Its IUPAC name is 5,5-dimethylcyclohexa-1,3-diene-1-sulfonamide.

Molecular Properties

Compound Name5,5-dimethylcyclohexa-1,3-diene-1-sulfonamide
PubChem CID67245991
Molecular FormulaC8H13NO2S
Molecular Weight187.26 g/mol
Exact Mass187.07
IUPAC Name5,5-dimethylcyclohexa-1,3-diene-1-sulfonamide
SMILESCC1(C)C=CC=C(S(N)(=O)=O)C1
InChIInChI=1S/C8H13NO2S/c1-8(2)5-3-4-7(6-8)12(9,10)11/h3-5H,6H2,1-2H3,(H2,9,10,11)
InChIKeyKFXVVNZNIQHRRF-UHFFFAOYSA-N
XLogP1.14
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethylcyclohexa-1,3-diene-1-sulfonamide?
The IUPAC name of 5,5-dimethylcyclohexa-1,3-diene-1-sulfonamide (CID 67245991) is 5,5-dimethylcyclohexa-1,3-diene-1-sulfonamide.
What is the SMILES notation for 5,5-dimethylcyclohexa-1,3-diene-1-sulfonamide?
The canonical SMILES for 5,5-dimethylcyclohexa-1,3-diene-1-sulfonamide is CC1(C)C=CC=C(S(N)(=O)=O)C1.
What is the InChIKey of 5,5-dimethylcyclohexa-1,3-diene-1-sulfonamide?
The InChIKey is KFXVVNZNIQHRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2S/c1-8(2)5-3-4-7(6-8)12(9,10)11/h3-5H,6H2,1-2H3,(H2,9,10,11).
What are the key properties of 5,5-dimethylcyclohexa-1,3-diene-1-sulfonamide?
5,5-dimethylcyclohexa-1,3-diene-1-sulfonamide has a molecular weight of 187.26 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethylcyclohexa-1,3-diene-1-sulfonamide is sourced from PubChem (CID 67245991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).