3,4-dimethylcyclohex-3-ene-1-sulfonamide

C8H15NO2S — CID 44632259

IUPAC3,4-dimethylcyclohex-3-ene-1-sulfonamide
SMILESCC1=C(C)CC(S(N)(=O)=O)CC1
InChIInChI=1S/C8H15NO2S/c1-6-3-4-8(5-7(6)2)12(9,10)11/h8H,3-5H2,1-2H3,(H2,9,10,11)
InChIKeyUIORGDRJAZBNHG-UHFFFAOYSA-N
MW189.28 g/mol
LogP1.16
Rot. Bonds1

About 3,4-dimethylcyclohex-3-ene-1-sulfonamide

3,4-dimethylcyclohex-3-ene-1-sulfonamide (PubChem CID 44632259) has the molecular formula C8H15NO2S and a molecular weight of 189.28 g/mol. Its IUPAC name is 3,4-dimethylcyclohex-3-ene-1-sulfonamide.

Molecular Properties

Compound Name3,4-dimethylcyclohex-3-ene-1-sulfonamide
PubChem CID44632259
Molecular FormulaC8H15NO2S
Molecular Weight189.28 g/mol
Exact Mass189.08
IUPAC Name3,4-dimethylcyclohex-3-ene-1-sulfonamide
SMILESCC1=C(C)CC(S(N)(=O)=O)CC1
InChIInChI=1S/C8H15NO2S/c1-6-3-4-8(5-7(6)2)12(9,10)11/h8H,3-5H2,1-2H3,(H2,9,10,11)
InChIKeyUIORGDRJAZBNHG-UHFFFAOYSA-N
XLogP1.16
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3,4-Dimethylcyclohex-3-ene-1-sulfonyl fluoride
CID 165453066
2-Ethylcyclohexene-1-sulfonyl chloride
CID 141012059
Cyclohexen-1-ylmethanesulfonamide
CID 149422579
3,4-Dimethylcyclohex-3-ene-1-sulfinate
CID 163715987
4-Methylcyclohex-3-ene-1-sulfonamide
CID 20432145
3,4-Dimethylcyclohex-3-ene-1-sulfonyl chloride
CID 55280024
(1R)-3,4-dimethylcyclohex-3-ene-1-sulfonyl chloride
CID 97960500
(1S)-3,4-dimethylcyclohex-3-ene-1-sulfonyl chloride
CID 97960501
2-(Cyclohex-1-en-1-yl)ethane-1-sulfonamide
CID 130905515
3,4-Dimethylcyclohex-3-ene-1-sulfinic acid
CID 163715988

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethylcyclohex-3-ene-1-sulfonamide?
The IUPAC name of 3,4-dimethylcyclohex-3-ene-1-sulfonamide (CID 44632259) is 3,4-dimethylcyclohex-3-ene-1-sulfonamide.
What is the SMILES notation for 3,4-dimethylcyclohex-3-ene-1-sulfonamide?
The canonical SMILES for 3,4-dimethylcyclohex-3-ene-1-sulfonamide is CC1=C(C)CC(S(N)(=O)=O)CC1.
What is the InChIKey of 3,4-dimethylcyclohex-3-ene-1-sulfonamide?
The InChIKey is UIORGDRJAZBNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2S/c1-6-3-4-8(5-7(6)2)12(9,10)11/h8H,3-5H2,1-2H3,(H2,9,10,11).
What are the key properties of 3,4-dimethylcyclohex-3-ene-1-sulfonamide?
3,4-dimethylcyclohex-3-ene-1-sulfonamide has a molecular weight of 189.28 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethylcyclohex-3-ene-1-sulfonamide is sourced from PubChem (CID 44632259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).