4-(4-benzylpiperazin-1-yl)sulfonyl-N-methylpyridin-2-amine

C17H22N4O2S — CID 113228639

IUPAC4-(4-benzylpiperazin-1-yl)sulfonyl-N-methylpyridin-2-amine
SMILESCNc1cc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)ccn1
InChIInChI=1S/C17H22N4O2S/c1-18-17-13-16(7-8-19-17)24(22,23)21-11-9-20(10-12-21)14-15-5-3-2-4-6-15/h2-8,13H,9-12,14H2,1H3,(H,18,19)
InChIKeyJQUKQYFGCRXCMX-UHFFFAOYSA-N
MW346.46 g/mol
LogP1.63
Rot. Bonds5

About 4-(4-benzylpiperazin-1-yl)sulfonyl-N-methylpyridin-2-amine

4-(4-benzylpiperazin-1-yl)sulfonyl-N-methylpyridin-2-amine (PubChem CID 113228639) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is 4-(4-benzylpiperazin-1-yl)sulfonyl-N-methylpyridin-2-amine.

Molecular Properties

Compound Name4-(4-benzylpiperazin-1-yl)sulfonyl-N-methylpyridin-2-amine
PubChem CID113228639
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC Name4-(4-benzylpiperazin-1-yl)sulfonyl-N-methylpyridin-2-amine
SMILESCNc1cc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)ccn1
InChIInChI=1S/C17H22N4O2S/c1-18-17-13-16(7-8-19-17)24(22,23)21-11-9-20(10-12-21)14-15-5-3-2-4-6-15/h2-8,13H,9-12,14H2,1H3,(H,18,19)
InChIKeyJQUKQYFGCRXCMX-UHFFFAOYSA-N
XLogP1.63
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-benzylpiperazin-1-yl)sulfonyl-N-ethylpyridin-2-amine
CID 113228640
N-methyl-4-(4-propylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 62148755
4-(1,3-dihydroisoindol-2-ylsulfonyl)-N-methylpyridin-2-amine
CID 62231059
1-benzyl-4-(4-chloro-3-methylphenyl)sulfonylpiperazine
CID 1239307
4-(8-azaspiro[4.5]decan-8-ylsulfonyl)-N-methylpyridin-2-amine
CID 63162051
1-benzyl-4-[(6-chloro-3-pyridinyl)sulfonyl]piperazine
CID 26945817
1-[4-(4-benzylpiperazin-1-yl)sulfonylphenyl]sulfonylazepane
CID 1167101
1-benzyl-4-[3-(phenoxymethyl)phenyl]sulfonylpiperazine
CID 71691327
N-[4-(4-benzylpiperazin-1-yl)sulfonyl-2-chlorophenyl]acetamide
CID 78842967
methyl 3-(4-benzylpiperazin-1-yl)sulfonylbenzoate
CID 31699946
2-[[5-(4-benzylpiperazin-1-yl)sulfonyl-2-pyridinyl]sulfanyl]-N-methylacetamide
CID 8877841
1-benzyl-4-(4-fluorophenyl)sulfonylpiperazine
CID 563073

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperazin-1-yl)sulfonyl-N-methylpyridin-2-amine?
The IUPAC name of 4-(4-benzylpiperazin-1-yl)sulfonyl-N-methylpyridin-2-amine (CID 113228639) is 4-(4-benzylpiperazin-1-yl)sulfonyl-N-methylpyridin-2-amine.
What is the SMILES notation for 4-(4-benzylpiperazin-1-yl)sulfonyl-N-methylpyridin-2-amine?
The canonical SMILES for 4-(4-benzylpiperazin-1-yl)sulfonyl-N-methylpyridin-2-amine is CNc1cc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)ccn1.
What is the InChIKey of 4-(4-benzylpiperazin-1-yl)sulfonyl-N-methylpyridin-2-amine?
The InChIKey is JQUKQYFGCRXCMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-18-17-13-16(7-8-19-17)24(22,23)21-11-9-20(10-12-21)14-15-5-3-2-4-6-15/h2-8,13H,9-12,14H2,1H3,(H,18,19).
What are the key properties of 4-(4-benzylpiperazin-1-yl)sulfonyl-N-methylpyridin-2-amine?
4-(4-benzylpiperazin-1-yl)sulfonyl-N-methylpyridin-2-amine has a molecular weight of 346.46 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylpiperazin-1-yl)sulfonyl-N-methylpyridin-2-amine is sourced from PubChem (CID 113228639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).