4-[2-[(3-methoxycyclohexyl)amino]ethyl]benzenesulfonamide

C15H24N2O3S — CID 106872019

IUPAC4-[2-[(3-methoxycyclohexyl)amino]ethyl]benzenesulfonamide
SMILESCOC1CCCC(NCCc2ccc(S(N)(=O)=O)cc2)C1
InChIInChI=1S/C15H24N2O3S/c1-20-14-4-2-3-13(11-14)17-10-9-12-5-7-15(8-6-12)21(16,18)19/h5-8,13-14,17H,2-4,9-11H2,1H3,(H2,16,18,19)
InChIKeyGTJVIMXUENPQOQ-UHFFFAOYSA-N
MW312.43 g/mol
LogP1.42
Rot. Bonds6

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

4-[2-[(3-methoxycyclohexyl)amino]ethyl]benzenesulfonamide (PubChem CID 106872019) has the molecular formula C15H24N2O3S and a molecular weight of 312.43 g/mol. Its IUPAC name is 4-[2-[(3-methoxycyclohexyl)amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[(3-methoxycyclohexyl)amino]ethyl]benzenesulfonamide
PubChem CID106872019
Molecular FormulaC15H24N2O3S
Molecular Weight312.43 g/mol
Exact Mass312.15
IUPAC Name4-[2-[(3-methoxycyclohexyl)amino]ethyl]benzenesulfonamide
SMILESCOC1CCCC(NCCc2ccc(S(N)(=O)=O)cc2)C1
InChIInChI=1S/C15H24N2O3S/c1-20-14-4-2-3-13(11-14)17-10-9-12-5-7-15(8-6-12)21(16,18)19/h5-8,13-14,17H,2-4,9-11H2,1H3,(H2,16,18,19)
InChIKeyGTJVIMXUENPQOQ-UHFFFAOYSA-N
XLogP1.42
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.43
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[(3-methoxycyclobutyl)amino]ethyl]benzenesulfonamide
CID 104872021
4-[2-(cyclohexylamino)ethyl]benzenesulfonamide
CID 54995569
4-[2-[(3-methylcyclopentyl)amino]ethyl]benzenesulfonamide
CID 64500491
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-[1-[(3-methoxycyclohexyl)amino]ethyl]benzenesulfonamide
CID 103911415
3-[(3-methoxycyclohexyl)amino]-4-methylbenzenesulfonamide
CID 106871906
4-[2-[(1-propylpiperidin-4-yl)amino]ethyl]benzenesulfonamide
CID 119164939
4-[2-[(2,3-dimethylcyclohexyl)amino]ethyl]benzenesulfonamide
CID 64760901
N-[(4-ethylphenyl)methyl]-3-methoxycyclohexan-1-amine
CID 113286117
4-N-(3-methoxycyclobutyl)benzene-1,4-disulfonamide
CID 104600653

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(3-methoxycyclohexyl)amino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-[(3-methoxycyclohexyl)amino]ethyl]benzenesulfonamide (CID 106872019) is 4-[2-[(3-methoxycyclohexyl)amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[(3-methoxycyclohexyl)amino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[(3-methoxycyclohexyl)amino]ethyl]benzenesulfonamide is COC1CCCC(NCCc2ccc(S(N)(=O)=O)cc2)C1.
What is the InChIKey of 4-[2-[(3-methoxycyclohexyl)amino]ethyl]benzenesulfonamide?
The InChIKey is GTJVIMXUENPQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-20-14-4-2-3-13(11-14)17-10-9-12-5-7-15(8-6-12)21(16,18)19/h5-8,13-14,17H,2-4,9-11H2,1H3,(H2,16,18,19).
What are the key properties of 4-[2-[(3-methoxycyclohexyl)amino]ethyl]benzenesulfonamide?
4-[2-[(3-methoxycyclohexyl)amino]ethyl]benzenesulfonamide has a molecular weight of 312.43 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(3-methoxycyclohexyl)amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 106872019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).