3-amino-N-(cyclohex-3-en-1-ylmethyl)-2,5,6-trimethylbenzenesulfonamide

C16H24N2O2S — CID 106504730

IUPAC3-amino-N-(cyclohex-3-en-1-ylmethyl)-2,5,6-trimethylbenzenesulfonamide
SMILESCc1cc(N)c(C)c(S(=O)(=O)NCC2CC=CCC2)c1C
InChIInChI=1S/C16H24N2O2S/c1-11-9-15(17)13(3)16(12(11)2)21(19,20)18-10-14-7-5-4-6-8-14/h4-5,9,14,18H,6-8,10,17H2,1-3H3
InChIKeyZTHLYNLHVGANOD-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.83
Rot. Bonds4

About 3-amino-N-(cyclohex-3-en-1-ylmethyl)-2,5,6-trimethylbenzenesulfonamide

3-amino-N-(cyclohex-3-en-1-ylmethyl)-2,5,6-trimethylbenzenesulfonamide (PubChem CID 106504730) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 3-amino-N-(cyclohex-3-en-1-ylmethyl)-2,5,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(cyclohex-3-en-1-ylmethyl)-2,5,6-trimethylbenzenesulfonamide
PubChem CID106504730
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name3-amino-N-(cyclohex-3-en-1-ylmethyl)-2,5,6-trimethylbenzenesulfonamide
SMILESCc1cc(N)c(C)c(S(=O)(=O)NCC2CC=CCC2)c1C
InChIInChI=1S/C16H24N2O2S/c1-11-9-15(17)13(3)16(12(11)2)21(19,20)18-10-14-7-5-4-6-8-14/h4-5,9,14,18H,6-8,10,17H2,1-3H3
InChIKeyZTHLYNLHVGANOD-UHFFFAOYSA-N
XLogP2.83
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-amino-N-(cyclohex-3-en-1-ylmethyl)-2,5,6-trimethylbenzenesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[3-(2-aminoethyl)-2,5-dimethylphenyl]-4-methylbenzenesulfonamide
CID 265918
N-(2,3-dimethylphenyl)-2,4,6-trimethylbenzenesulfonamide
CID 767992
[(6-Aminonaphthyl)sulfonyl](2-methylpropyl)amine
CID 671592
N-[2,5-dimethyl-3-(trifluoromethyl)phenyl]-2,6-diethylbenzenesulfonamide
CID 90193209
2,6-diethyl-N-[3-(fluoromethyl)-2,5-dimethylphenyl]benzenesulfonamide
CID 126722996
N-(3,4-dimethylphenyl)-2,4,6-trimethylbenzenesulfonamide
CID 770828
N-(2,5-dimethylphenyl)-2,4,6-triisopropylbenzenesulfonamide
CID 2058209
N-(2-fluoro-5-methylphenyl)-2,3,5,6-tetramethylbenzenesulfonamide
CID 3607223
2,3,5,6-tetramethyl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3686430
2,3,5,6-tetramethyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3814401
2,3,5,6-tetramethyl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3847222
N-(5-fluoro-2-methylphenyl)-2,3,5,6-tetramethylbenzenesulfonamide
CID 8100169

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(cyclohex-3-en-1-ylmethyl)-2,5,6-trimethylbenzenesulfonamide?
The IUPAC name of 3-amino-N-(cyclohex-3-en-1-ylmethyl)-2,5,6-trimethylbenzenesulfonamide (CID 106504730) is 3-amino-N-(cyclohex-3-en-1-ylmethyl)-2,5,6-trimethylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-(cyclohex-3-en-1-ylmethyl)-2,5,6-trimethylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-(cyclohex-3-en-1-ylmethyl)-2,5,6-trimethylbenzenesulfonamide is Cc1cc(N)c(C)c(S(=O)(=O)NCC2CC=CCC2)c1C.
What is the InChIKey of 3-amino-N-(cyclohex-3-en-1-ylmethyl)-2,5,6-trimethylbenzenesulfonamide?
The InChIKey is ZTHLYNLHVGANOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-11-9-15(17)13(3)16(12(11)2)21(19,20)18-10-14-7-5-4-6-8-14/h4-5,9,14,18H,6-8,10,17H2,1-3H3.
What are the key properties of 3-amino-N-(cyclohex-3-en-1-ylmethyl)-2,5,6-trimethylbenzenesulfonamide?
3-amino-N-(cyclohex-3-en-1-ylmethyl)-2,5,6-trimethylbenzenesulfonamide has a molecular weight of 308.45 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(cyclohex-3-en-1-ylmethyl)-2,5,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 106504730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).