4-[2-[4-(ethylaminomethyl)piperidin-1-yl]ethoxy]benzenesulfonamide

C16H27N3O3S — CID 119927841

IUPAC4-[2-[4-(ethylaminomethyl)piperidin-1-yl]ethoxy]benzenesulfonamide
SMILESCCNCC1CCN(CCOc2ccc(S(N)(=O)=O)cc2)CC1
InChIInChI=1S/C16H27N3O3S/c1-2-18-13-14-7-9-19(10-8-14)11-12-22-15-3-5-16(6-4-15)23(17,20)21/h3-6,14,18H,2,7-13H2,1H3,(H2,17,20,21)
InChIKeyNTCYJGCZSAOCKE-UHFFFAOYSA-N
MW341.48 g/mol
LogP1.03
Rot. Bonds8

About 4-[2-[4-(ethylaminomethyl)piperidin-1-yl]ethoxy]benzenesulfonamide

4-[2-[4-(ethylaminomethyl)piperidin-1-yl]ethoxy]benzenesulfonamide (PubChem CID 119927841) has the molecular formula C16H27N3O3S and a molecular weight of 341.48 g/mol. Its IUPAC name is 4-[2-[4-(ethylaminomethyl)piperidin-1-yl]ethoxy]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[4-(ethylaminomethyl)piperidin-1-yl]ethoxy]benzenesulfonamide
PubChem CID119927841
Molecular FormulaC16H27N3O3S
Molecular Weight341.48 g/mol
Exact Mass341.18
IUPAC Name4-[2-[4-(ethylaminomethyl)piperidin-1-yl]ethoxy]benzenesulfonamide
SMILESCCNCC1CCN(CCOc2ccc(S(N)(=O)=O)cc2)CC1
InChIInChI=1S/C16H27N3O3S/c1-2-18-13-14-7-9-19(10-8-14)11-12-22-15-3-5-16(6-4-15)23(17,20)21/h3-6,14,18H,2,7-13H2,1H3,(H2,17,20,21)
InChIKeyNTCYJGCZSAOCKE-UHFFFAOYSA-N
XLogP1.03
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]ethoxy]benzenesulfonamide
CID 63264028
N-[[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119927795
4-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethoxy]benzenesulfonamide
CID 78962070
4-[2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]ethoxy]benzenesulfonamide
CID 34933504
4-[2-(3-aminopiperidin-1-yl)ethoxy]benzenesulfonamide
CID 61295573
4-[2-(4-hydroxy-4-methylpiperidin-1-yl)ethoxy]benzenesulfonamide
CID 80702716
4-[2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]ethoxy]benzenesulfonamide
CID 34704622
4-[2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)ethoxy]benzenesulfonamide;hydrochloride
CID 119927332
tert-butyl 4-[2-(4-sulfamoylphenoxy)ethyl]piperazine-1-carboxylate
CID 46594465
1-[2-(4-propoxyphenoxy)ethyl]piperidin-4-amine
CID 43556436
4-[[[4-(3-piperidin-1-ylpropoxy)phenyl]methylamino]methyl]benzenesulfonamide
CID 177234136
4-[2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]ethoxy]benzenesulfonamide
CID 46662798

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(ethylaminomethyl)piperidin-1-yl]ethoxy]benzenesulfonamide?
The IUPAC name of 4-[2-[4-(ethylaminomethyl)piperidin-1-yl]ethoxy]benzenesulfonamide (CID 119927841) is 4-[2-[4-(ethylaminomethyl)piperidin-1-yl]ethoxy]benzenesulfonamide.
What is the SMILES notation for 4-[2-[4-(ethylaminomethyl)piperidin-1-yl]ethoxy]benzenesulfonamide?
The canonical SMILES for 4-[2-[4-(ethylaminomethyl)piperidin-1-yl]ethoxy]benzenesulfonamide is CCNCC1CCN(CCOc2ccc(S(N)(=O)=O)cc2)CC1.
What is the InChIKey of 4-[2-[4-(ethylaminomethyl)piperidin-1-yl]ethoxy]benzenesulfonamide?
The InChIKey is NTCYJGCZSAOCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3S/c1-2-18-13-14-7-9-19(10-8-14)11-12-22-15-3-5-16(6-4-15)23(17,20)21/h3-6,14,18H,2,7-13H2,1H3,(H2,17,20,21).
What are the key properties of 4-[2-[4-(ethylaminomethyl)piperidin-1-yl]ethoxy]benzenesulfonamide?
4-[2-[4-(ethylaminomethyl)piperidin-1-yl]ethoxy]benzenesulfonamide has a molecular weight of 341.48 g/mol, XLogP of 1.03, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(ethylaminomethyl)piperidin-1-yl]ethoxy]benzenesulfonamide is sourced from PubChem (CID 119927841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).