3-amino-N-(2-ethylcyclohexyl)-2,6-dimethylbenzenesulfonamide

C16H26N2O2S — CID 61466577

IUPAC3-amino-N-(2-ethylcyclohexyl)-2,6-dimethylbenzenesulfonamide
SMILESCCC1CCCCC1NS(=O)(=O)c1c(C)ccc(N)c1C
InChIInChI=1S/C16H26N2O2S/c1-4-13-7-5-6-8-15(13)18-21(19,20)16-11(2)9-10-14(17)12(16)3/h9-10,13,15,18H,4-8,17H2,1-3H3
InChIKeyLRRZKCNINUIGEF-UHFFFAOYSA-N
MW310.46 g/mol
LogP3.13
Rot. Bonds4

About 3-amino-N-(2-ethylcyclohexyl)-2,6-dimethylbenzenesulfonamide

3-amino-N-(2-ethylcyclohexyl)-2,6-dimethylbenzenesulfonamide (PubChem CID 61466577) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is 3-amino-N-(2-ethylcyclohexyl)-2,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(2-ethylcyclohexyl)-2,6-dimethylbenzenesulfonamide
PubChem CID61466577
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Name3-amino-N-(2-ethylcyclohexyl)-2,6-dimethylbenzenesulfonamide
SMILESCCC1CCCCC1NS(=O)(=O)c1c(C)ccc(N)c1C
InChIInChI=1S/C16H26N2O2S/c1-4-13-7-5-6-8-15(13)18-21(19,20)16-11(2)9-10-14(17)12(16)3/h9-10,13,15,18H,4-8,17H2,1-3H3
InChIKeyLRRZKCNINUIGEF-UHFFFAOYSA-N
XLogP3.13
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2,6-dichloro-N-(2-ethylcyclohexyl)benzenesulfonamide
CID 61466502
3-amino-N-cyclopropyl-2,6-dimethylbenzenesulfonamide
CID 43256969
6-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-2,3-dimethylbenzenesulfonamide
CID 107213458
3-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-2,6-dimethylbenzenesulfonamide
CID 43257654
3-amino-2,6-dimethyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzenesulfonamide
CID 80714898
5-amino-N-(2-ethylcyclohexyl)-2-fluorobenzenesulfonamide
CID 61466373
3-amino-N-(2-ethylcyclohexyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105358704
N-(2-ethylcyclohexyl)-4-ethylsulfonylbenzenesulfonamide
CID 60530988
3-amino-N-(cyclopropylmethyl)-2,6-dimethylbenzenesulfonamide
CID 43257138
2-amino-N-(2-ethylcyclohexyl)pyrimidine-5-sulfonamide
CID 62153641
3-amino-N-(3,3-dimethylcyclopentyl)-2,6-dimethylbenzenesulfonamide
CID 114542968
5-(aminomethyl)-2-bromo-N-(2-ethylcyclohexyl)furan-3-sulfonamide
CID 106002889

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-ethylcyclohexyl)-2,6-dimethylbenzenesulfonamide?
The IUPAC name of 3-amino-N-(2-ethylcyclohexyl)-2,6-dimethylbenzenesulfonamide (CID 61466577) is 3-amino-N-(2-ethylcyclohexyl)-2,6-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-(2-ethylcyclohexyl)-2,6-dimethylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-(2-ethylcyclohexyl)-2,6-dimethylbenzenesulfonamide is CCC1CCCCC1NS(=O)(=O)c1c(C)ccc(N)c1C.
What is the InChIKey of 3-amino-N-(2-ethylcyclohexyl)-2,6-dimethylbenzenesulfonamide?
The InChIKey is LRRZKCNINUIGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-4-13-7-5-6-8-15(13)18-21(19,20)16-11(2)9-10-14(17)12(16)3/h9-10,13,15,18H,4-8,17H2,1-3H3.
What are the key properties of 3-amino-N-(2-ethylcyclohexyl)-2,6-dimethylbenzenesulfonamide?
3-amino-N-(2-ethylcyclohexyl)-2,6-dimethylbenzenesulfonamide has a molecular weight of 310.46 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-ethylcyclohexyl)-2,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 61466577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).