5-(4-benzylpiperidin-1-yl)sulfonylnaphthalen-1-amine

C22H24N2O2S — CID 164614513

IUPAC5-(4-benzylpiperidin-1-yl)sulfonylnaphthalen-1-amine
SMILESNc1cccc2c(S(=O)(=O)N3CCC(Cc4ccccc4)CC3)cccc12
InChIInChI=1S/C22H24N2O2S/c23-21-10-4-9-20-19(21)8-5-11-22(20)27(25,26)24-14-12-18(13-15-24)16-17-6-2-1-3-7-17/h1-11,18H,12-16,23H2
InChIKeySIULQRZKJUQTAL-UHFFFAOYSA-N
MW380.51 g/mol
LogP4.07
Rot. Bonds4

About 5-(4-benzylpiperidin-1-yl)sulfonylnaphthalen-1-amine

5-(4-benzylpiperidin-1-yl)sulfonylnaphthalen-1-amine (PubChem CID 164614513) has the molecular formula C22H24N2O2S and a molecular weight of 380.51 g/mol. Its IUPAC name is 5-(4-benzylpiperidin-1-yl)sulfonylnaphthalen-1-amine.

Molecular Properties

Compound Name5-(4-benzylpiperidin-1-yl)sulfonylnaphthalen-1-amine
PubChem CID164614513
Molecular FormulaC22H24N2O2S
Molecular Weight380.51 g/mol
Exact Mass380.16
IUPAC Name5-(4-benzylpiperidin-1-yl)sulfonylnaphthalen-1-amine
SMILESNc1cccc2c(S(=O)(=O)N3CCC(Cc4ccccc4)CC3)cccc12
InChIInChI=1S/C22H24N2O2S/c23-21-10-4-9-20-19(21)8-5-11-22(20)27(25,26)24-14-12-18(13-15-24)16-17-6-2-1-3-7-17/h1-11,18H,12-16,23H2
InChIKeySIULQRZKJUQTAL-UHFFFAOYSA-N
XLogP4.07
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(4-benzylpiperidin-1-yl)sulfonylnaphthalen-1-amine;hydrochloride
CID 164614512
4-benzyl-1-(8-chloronaphthalen-1-yl)sulfonylpiperidine
CID 4585245
5-(4-benzylpiperidin-1-yl)sulfonyl-2-chloroaniline
CID 23120376
4-benzyl-1-(2-methyl-3-nitrophenyl)sulfonylpiperidine
CID 46573482
4-benzyl-1-(chloromethylsulfonyl)piperidine
CID 63666156
2-(4-benzylpiperidin-1-yl)-3-chloroaniline
CID 43346324
2-[1-(2-aminophenyl)sulfonylpiperidin-4-yl]acetamide
CID 61139917
4-[3-(4-benzylpiperidin-1-yl)sulfonylphenyl]sulfonylmorpholine
CID 651778
1-(2-aminophenyl)sulfonylazepan-4-amine
CID 89315995
4-(benzenesulfonyl)-1-naphthalen-1-ylsulfonylpiperidine
CID 90589478
4-benzyl-1-(5-chloro-2-methoxyphenyl)sulfonylpiperidine
CID 1106586
4-(4-benzylpiperidin-1-yl)sulfonyl-2,3,5,6-tetrafluorobenzenesulfonic acid
CID 21138806

Frequently Asked Questions

What is the IUPAC name of 5-(4-benzylpiperidin-1-yl)sulfonylnaphthalen-1-amine?
The IUPAC name of 5-(4-benzylpiperidin-1-yl)sulfonylnaphthalen-1-amine (CID 164614513) is 5-(4-benzylpiperidin-1-yl)sulfonylnaphthalen-1-amine.
What is the SMILES notation for 5-(4-benzylpiperidin-1-yl)sulfonylnaphthalen-1-amine?
The canonical SMILES for 5-(4-benzylpiperidin-1-yl)sulfonylnaphthalen-1-amine is Nc1cccc2c(S(=O)(=O)N3CCC(Cc4ccccc4)CC3)cccc12.
What is the InChIKey of 5-(4-benzylpiperidin-1-yl)sulfonylnaphthalen-1-amine?
The InChIKey is SIULQRZKJUQTAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2S/c23-21-10-4-9-20-19(21)8-5-11-22(20)27(25,26)24-14-12-18(13-15-24)16-17-6-2-1-3-7-17/h1-11,18H,12-16,23H2.
What are the key properties of 5-(4-benzylpiperidin-1-yl)sulfonylnaphthalen-1-amine?
5-(4-benzylpiperidin-1-yl)sulfonylnaphthalen-1-amine has a molecular weight of 380.51 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-benzylpiperidin-1-yl)sulfonylnaphthalen-1-amine is sourced from PubChem (CID 164614513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).