4-[2-[(1-propylpiperidin-4-yl)amino]ethyl]benzenesulfonamide

C16H27N3O2S — CID 119164939

IUPAC4-[2-[(1-propylpiperidin-4-yl)amino]ethyl]benzenesulfonamide
SMILESCCCN1CCC(NCCc2ccc(S(N)(=O)=O)cc2)CC1
InChIInChI=1S/C16H27N3O2S/c1-2-11-19-12-8-15(9-13-19)18-10-7-14-3-5-16(6-4-14)22(17,20)21/h3-6,15,18H,2,7-13H2,1H3,(H2,17,20,21)
InChIKeyVYDDKFRMMPSMIJ-UHFFFAOYSA-N
MW325.48 g/mol
LogP1.34
Rot. Bonds7

About 4-[2-[(1-propylpiperidin-4-yl)amino]ethyl]benzenesulfonamide

4-[2-[(1-propylpiperidin-4-yl)amino]ethyl]benzenesulfonamide (PubChem CID 119164939) has the molecular formula C16H27N3O2S and a molecular weight of 325.48 g/mol. Its IUPAC name is 4-[2-[(1-propylpiperidin-4-yl)amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[(1-propylpiperidin-4-yl)amino]ethyl]benzenesulfonamide
PubChem CID119164939
Molecular FormulaC16H27N3O2S
Molecular Weight325.48 g/mol
Exact Mass325.18
IUPAC Name4-[2-[(1-propylpiperidin-4-yl)amino]ethyl]benzenesulfonamide
SMILESCCCN1CCC(NCCc2ccc(S(N)(=O)=O)cc2)CC1
InChIInChI=1S/C16H27N3O2S/c1-2-11-19-12-8-15(9-13-19)18-10-7-14-3-5-16(6-4-14)22(17,20)21/h3-6,15,18H,2,7-13H2,1H3,(H2,17,20,21)
InChIKeyVYDDKFRMMPSMIJ-UHFFFAOYSA-N
XLogP1.34
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.48
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(cyclohexylamino)ethyl]benzenesulfonamide
CID 54995569
4-[2-[(4-aminocyclohexyl)amino]ethyl]benzenesulfonamide
CID 79742039
4-[2-[(3-methylcyclopentyl)amino]ethyl]benzenesulfonamide
CID 64500491
4-[2-(thian-4-ylamino)ethyl]benzenesulfonamide
CID 54995674
N-(2-phenylethyl)-1-propylazepan-4-amine
CID 65072843
4-[2-[[1-(3-chloro-4-methylphenyl)piperidin-4-yl]amino]ethyl]benzenesulfonamide
CID 131898978
4-[2-[(3-aminocyclobutyl)amino]ethyl]benzenesulfonamide
CID 80560838
4-[2-[(3-methoxycyclohexyl)amino]ethyl]benzenesulfonamide
CID 106872019
4-[2-[(3-methoxycyclobutyl)amino]ethyl]benzenesulfonamide
CID 104872021
N,1-bis(2-phenylethyl)piperidin-4-amine
CID 24785666
N-(2-methylsulfonylethyl)-1-propylpiperidin-4-amine
CID 60920378
1-ethyl-N-[2-(4-nitrophenyl)ethyl]piperidin-4-amine
CID 61219668

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(1-propylpiperidin-4-yl)amino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-[(1-propylpiperidin-4-yl)amino]ethyl]benzenesulfonamide (CID 119164939) is 4-[2-[(1-propylpiperidin-4-yl)amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[(1-propylpiperidin-4-yl)amino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[(1-propylpiperidin-4-yl)amino]ethyl]benzenesulfonamide is CCCN1CCC(NCCc2ccc(S(N)(=O)=O)cc2)CC1.
What is the InChIKey of 4-[2-[(1-propylpiperidin-4-yl)amino]ethyl]benzenesulfonamide?
The InChIKey is VYDDKFRMMPSMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2S/c1-2-11-19-12-8-15(9-13-19)18-10-7-14-3-5-16(6-4-14)22(17,20)21/h3-6,15,18H,2,7-13H2,1H3,(H2,17,20,21).
What are the key properties of 4-[2-[(1-propylpiperidin-4-yl)amino]ethyl]benzenesulfonamide?
4-[2-[(1-propylpiperidin-4-yl)amino]ethyl]benzenesulfonamide has a molecular weight of 325.48 g/mol, XLogP of 1.34, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(1-propylpiperidin-4-yl)amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 119164939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).