4-[2-[(2,3-dimethylcyclohexyl)amino]ethyl]benzenesulfonamide

C16H26N2O2S — CID 64760901

IUPAC4-[2-[(2,3-dimethylcyclohexyl)amino]ethyl]benzenesulfonamide
SMILESCC1CCCC(NCCc2ccc(S(N)(=O)=O)cc2)C1C
InChIInChI=1S/C16H26N2O2S/c1-12-4-3-5-16(13(12)2)18-11-10-14-6-8-15(9-7-14)21(17,19)20/h6-9,12-13,16,18H,3-5,10-11H2,1-2H3,(H2,17,19,20)
InChIKeyLSXJGSJTVNAEPN-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.29
Rot. Bonds5

About 4-[2-[(2,3-dimethylcyclohexyl)amino]ethyl]benzenesulfonamide

4-[2-[(2,3-dimethylcyclohexyl)amino]ethyl]benzenesulfonamide (PubChem CID 64760901) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is 4-[2-[(2,3-dimethylcyclohexyl)amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[(2,3-dimethylcyclohexyl)amino]ethyl]benzenesulfonamide
PubChem CID64760901
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Name4-[2-[(2,3-dimethylcyclohexyl)amino]ethyl]benzenesulfonamide
SMILESCC1CCCC(NCCc2ccc(S(N)(=O)=O)cc2)C1C
InChIInChI=1S/C16H26N2O2S/c1-12-4-3-5-16(13(12)2)18-11-10-14-6-8-15(9-7-14)21(17,19)20/h6-9,12-13,16,18H,3-5,10-11H2,1-2H3,(H2,17,19,20)
InChIKeyLSXJGSJTVNAEPN-UHFFFAOYSA-N
XLogP2.29
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(cyclohexylamino)ethyl]benzenesulfonamide
CID 54995569
4-[2-[(3-methylcyclopentyl)amino]ethyl]benzenesulfonamide
CID 64500491
4-[2-[(7-hydroxy-1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethyl]benzenesulfonamide
CID 144623345
4-[2-[(3-methoxycyclohexyl)amino]ethyl]benzenesulfonamide
CID 106872019
N-[2-(3,5-difluorophenyl)ethyl]-2,3-dimethylcyclohexan-1-amine
CID 64762317
4-[2-[(4-aminocyclohexyl)amino]ethyl]benzenesulfonamide
CID 79742039
4-[2-(thian-4-ylamino)ethyl]benzenesulfonamide
CID 54995674
4-[2-[(3-aminocyclobutyl)amino]ethyl]benzenesulfonamide
CID 80560838
4-[2-[(3-methoxycyclobutyl)amino]ethyl]benzenesulfonamide
CID 104872021
4-[2-[(1-propylpiperidin-4-yl)amino]ethyl]benzenesulfonamide
CID 119164939
(2R)-2-methyl-N-(2-phenylethyl)cyclohexan-1-amine
CID 70947263
(1S,2S,3R)-2,3-dimethyl-N-[(4-methylphenyl)methyl]cyclohexan-1-amine
CID 11923056

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2,3-dimethylcyclohexyl)amino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-[(2,3-dimethylcyclohexyl)amino]ethyl]benzenesulfonamide (CID 64760901) is 4-[2-[(2,3-dimethylcyclohexyl)amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[(2,3-dimethylcyclohexyl)amino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[(2,3-dimethylcyclohexyl)amino]ethyl]benzenesulfonamide is CC1CCCC(NCCc2ccc(S(N)(=O)=O)cc2)C1C.
What is the InChIKey of 4-[2-[(2,3-dimethylcyclohexyl)amino]ethyl]benzenesulfonamide?
The InChIKey is LSXJGSJTVNAEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-12-4-3-5-16(13(12)2)18-11-10-14-6-8-15(9-7-14)21(17,19)20/h6-9,12-13,16,18H,3-5,10-11H2,1-2H3,(H2,17,19,20).
What are the key properties of 4-[2-[(2,3-dimethylcyclohexyl)amino]ethyl]benzenesulfonamide?
4-[2-[(2,3-dimethylcyclohexyl)amino]ethyl]benzenesulfonamide has a molecular weight of 310.46 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2,3-dimethylcyclohexyl)amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 64760901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).