1-[4-(aminomethyl)phenyl]sulfonyl-N-[(4-chlorophenyl)methyl]piperidin-4-amine

C19H24ClN3O2S — CID 70168461

IUPAC1-[4-(aminomethyl)phenyl]sulfonyl-N-[(4-chlorophenyl)methyl]piperidin-4-amine
SMILESNCc1ccc(S(=O)(=O)N2CCC(NCc3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C19H24ClN3O2S/c20-17-5-1-16(2-6-17)14-22-18-9-11-23(12-10-18)26(24,25)19-7-3-15(13-21)4-8-19/h1-8,18,22H,9-14,21H2
InChIKeyVNOBHPSSFJUROA-UHFFFAOYSA-N
MW393.94 g/mol
LogP2.74
Rot. Bonds6

About 1-[4-(aminomethyl)phenyl]sulfonyl-N-[(4-chlorophenyl)methyl]piperidin-4-amine

1-[4-(aminomethyl)phenyl]sulfonyl-N-[(4-chlorophenyl)methyl]piperidin-4-amine (PubChem CID 70168461) has the molecular formula C19H24ClN3O2S and a molecular weight of 393.94 g/mol. Its IUPAC name is 1-[4-(aminomethyl)phenyl]sulfonyl-N-[(4-chlorophenyl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[4-(aminomethyl)phenyl]sulfonyl-N-[(4-chlorophenyl)methyl]piperidin-4-amine
PubChem CID70168461
Molecular FormulaC19H24ClN3O2S
Molecular Weight393.94 g/mol
Exact Mass393.13
IUPAC Name1-[4-(aminomethyl)phenyl]sulfonyl-N-[(4-chlorophenyl)methyl]piperidin-4-amine
SMILESNCc1ccc(S(=O)(=O)N2CCC(NCc3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C19H24ClN3O2S/c20-17-5-1-16(2-6-17)14-22-18-9-11-23(12-10-18)26(24,25)19-7-3-15(13-21)4-8-19/h1-8,18,22H,9-14,21H2
InChIKeyVNOBHPSSFJUROA-UHFFFAOYSA-N
XLogP2.74
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.94
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)sulfonyl-N-methylpiperidin-4-amine
CID 119979815
N-[[4-(aminomethyl)phenyl]methyl]-1-methylpiperidin-4-amine
CID 115213157
N-[[4-(3,4-dimethylpyrrolidin-1-yl)sulfonylphenyl]methyl]cyclopropanamine
CID 79178519
[4-(4-propylpiperidin-1-yl)sulfonylphenyl]methanamine
CID 62204890
1-(4-chlorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 2668514
[1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119971833
1-[4-[(cyclopropylamino)methyl]phenyl]sulfonylpiperidin-3-ol
CID 61435583
1-[(4-chlorophenyl)methyl]-4-(4-chlorophenyl)sulfonylpiperazin-1-ium
CID 2168992
1-(4-methylphenyl)sulfonyl-N-[(1-methylpyrazol-4-yl)methyl]piperidin-4-amine
CID 86772200
N-[[4-(4-chlorophenyl)phenyl]methyl]-1-methylpiperidin-4-amine
CID 23614409
[4-(4-cyclohexylpiperazin-1-yl)sulfonylphenyl]methanamine
CID 154513056
N-[(4-chlorophenyl)methyl]-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide
CID 53285506

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)phenyl]sulfonyl-N-[(4-chlorophenyl)methyl]piperidin-4-amine?
The IUPAC name of 1-[4-(aminomethyl)phenyl]sulfonyl-N-[(4-chlorophenyl)methyl]piperidin-4-amine (CID 70168461) is 1-[4-(aminomethyl)phenyl]sulfonyl-N-[(4-chlorophenyl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-[4-(aminomethyl)phenyl]sulfonyl-N-[(4-chlorophenyl)methyl]piperidin-4-amine?
The canonical SMILES for 1-[4-(aminomethyl)phenyl]sulfonyl-N-[(4-chlorophenyl)methyl]piperidin-4-amine is NCc1ccc(S(=O)(=O)N2CCC(NCc3ccc(Cl)cc3)CC2)cc1.
What is the InChIKey of 1-[4-(aminomethyl)phenyl]sulfonyl-N-[(4-chlorophenyl)methyl]piperidin-4-amine?
The InChIKey is VNOBHPSSFJUROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O2S/c20-17-5-1-16(2-6-17)14-22-18-9-11-23(12-10-18)26(24,25)19-7-3-15(13-21)4-8-19/h1-8,18,22H,9-14,21H2.
What are the key properties of 1-[4-(aminomethyl)phenyl]sulfonyl-N-[(4-chlorophenyl)methyl]piperidin-4-amine?
1-[4-(aminomethyl)phenyl]sulfonyl-N-[(4-chlorophenyl)methyl]piperidin-4-amine has a molecular weight of 393.94 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)phenyl]sulfonyl-N-[(4-chlorophenyl)methyl]piperidin-4-amine is sourced from PubChem (CID 70168461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).