3-amino-N,2,5-trimethyl-N-(3-methylcyclohexyl)benzenesulfonamide

C16H26N2O2S — CID 79885487

IUPAC3-amino-N,2,5-trimethyl-N-(3-methylcyclohexyl)benzenesulfonamide
SMILESCc1cc(N)c(C)c(S(=O)(=O)N(C)C2CCCC(C)C2)c1
InChIInChI=1S/C16H26N2O2S/c1-11-6-5-7-14(8-11)18(4)21(19,20)16-10-12(2)9-15(17)13(16)3/h9-11,14H,5-8,17H2,1-4H3
InChIKeyLQXDDFPUAZAKNQ-UHFFFAOYSA-N
MW310.46 g/mol
LogP3.08
Rot. Bonds3

About 3-amino-N,2,5-trimethyl-N-(3-methylcyclohexyl)benzenesulfonamide

3-amino-N,2,5-trimethyl-N-(3-methylcyclohexyl)benzenesulfonamide (PubChem CID 79885487) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is 3-amino-N,2,5-trimethyl-N-(3-methylcyclohexyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-N,2,5-trimethyl-N-(3-methylcyclohexyl)benzenesulfonamide
PubChem CID79885487
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Name3-amino-N,2,5-trimethyl-N-(3-methylcyclohexyl)benzenesulfonamide
SMILESCc1cc(N)c(C)c(S(=O)(=O)N(C)C2CCCC(C)C2)c1
InChIInChI=1S/C16H26N2O2S/c1-11-6-5-7-14(8-11)18(4)21(19,20)16-10-12(2)9-15(17)13(16)3/h9-11,14H,5-8,17H2,1-4H3
InChIKeyLQXDDFPUAZAKNQ-UHFFFAOYSA-N
XLogP3.08
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N,4,5-trimethyl-N-(3-methylcyclohexyl)benzenesulfonamide
CID 61444342
3-amino-5-chloro-N-cyclobutyl-N,2-dimethylbenzenesulfonamide
CID 114380287
3-amino-N-(cyclopropylmethyl)-N,2,5-trimethylbenzenesulfonamide
CID 79889318
2-amino-N-cyclopentyl-N,4-dimethylbenzenesulfonamide
CID 43266857
4-amino-2,6-dibromo-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide
CID 61444933
3-amino-N-cyclobutyl-2,5-dimethylbenzenesulfonamide
CID 79889241
5-amino-2-methyl-3-[methyl-(3-methylcyclohexyl)amino]benzenesulfonamide
CID 79900084
3-amino-N-(3,5-dimethylcyclohexyl)-2,5-dimethylbenzenesulfonamide
CID 79885079
3-amino-N,2,5-trimethyl-N-(oxan-3-ylmethyl)benzenesulfonamide
CID 79884606
5-fluoro-2-(hydroxymethyl)-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide
CID 102919775
5-amino-N-cyclopropyl-N,2,3-trimethylbenzenesulfonamide
CID 43264630
2-fluoro-4-(hydroxymethyl)-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide
CID 79178566

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,2,5-trimethyl-N-(3-methylcyclohexyl)benzenesulfonamide?
The IUPAC name of 3-amino-N,2,5-trimethyl-N-(3-methylcyclohexyl)benzenesulfonamide (CID 79885487) is 3-amino-N,2,5-trimethyl-N-(3-methylcyclohexyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-N,2,5-trimethyl-N-(3-methylcyclohexyl)benzenesulfonamide?
The canonical SMILES for 3-amino-N,2,5-trimethyl-N-(3-methylcyclohexyl)benzenesulfonamide is Cc1cc(N)c(C)c(S(=O)(=O)N(C)C2CCCC(C)C2)c1.
What is the InChIKey of 3-amino-N,2,5-trimethyl-N-(3-methylcyclohexyl)benzenesulfonamide?
The InChIKey is LQXDDFPUAZAKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-11-6-5-7-14(8-11)18(4)21(19,20)16-10-12(2)9-15(17)13(16)3/h9-11,14H,5-8,17H2,1-4H3.
What are the key properties of 3-amino-N,2,5-trimethyl-N-(3-methylcyclohexyl)benzenesulfonamide?
3-amino-N,2,5-trimethyl-N-(3-methylcyclohexyl)benzenesulfonamide has a molecular weight of 310.46 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,2,5-trimethyl-N-(3-methylcyclohexyl)benzenesulfonamide is sourced from PubChem (CID 79885487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).