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

C18H24N4O2S — CID 113228640

IUPAC4-(4-benzylpiperazin-1-yl)sulfonyl-N-ethylpyridin-2-amine
SMILESCCNc1cc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)ccn1
InChIInChI=1S/C18H24N4O2S/c1-2-19-18-14-17(8-9-20-18)25(23,24)22-12-10-21(11-13-22)15-16-6-4-3-5-7-16/h3-9,14H,2,10-13,15H2,1H3,(H,19,20)
InChIKeyQVJUHCZNGDTJSK-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.02
Rot. Bonds6

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

4-(4-benzylpiperazin-1-yl)sulfonyl-N-ethylpyridin-2-amine (PubChem CID 113228640) has the molecular formula C18H24N4O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is 4-(4-benzylpiperazin-1-yl)sulfonyl-N-ethylpyridin-2-amine.

Molecular Properties

Compound Name4-(4-benzylpiperazin-1-yl)sulfonyl-N-ethylpyridin-2-amine
PubChem CID113228640
Molecular FormulaC18H24N4O2S
Molecular Weight360.48 g/mol
Exact Mass360.16
IUPAC Name4-(4-benzylpiperazin-1-yl)sulfonyl-N-ethylpyridin-2-amine
SMILESCCNc1cc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)ccn1
InChIInChI=1S/C18H24N4O2S/c1-2-19-18-14-17(8-9-20-18)25(23,24)22-12-10-21(11-13-22)15-16-6-4-3-5-7-16/h3-9,14H,2,10-13,15H2,1H3,(H,19,20)
InChIKeyQVJUHCZNGDTJSK-UHFFFAOYSA-N
XLogP2.02
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-benzylpiperazin-1-yl)sulfonyl-N-methylpyridin-2-amine
CID 113228639
4-(4-cyclopropylpiperazin-1-yl)sulfonyl-N-ethylpyridin-2-amine
CID 62152286
N-ethyl-4-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]pyridin-2-amine
CID 55043507
N-ethyl-4-(1,4-thiazepan-4-ylsulfonyl)pyridin-2-amine
CID 62152799
N-methyl-4-(4-propylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 62148755
1-[[2-(ethylamino)-4-pyridinyl]sulfonyl]pyrrolidin-3-ol
CID 62942337
1-benzyl-4-(4-chloro-3-methylphenyl)sulfonylpiperazine
CID 1239307
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-N-ethylpyridin-2-amine
CID 79933811
1-benzyl-4-[(6-chloro-3-pyridinyl)sulfonyl]piperazine
CID 26945817
4-(4-benzylpiperazin-1-yl)sulfonyl-N-ethylthiophene-2-carboxamide
CID 6504027
1-[4-(4-benzylpiperazin-1-yl)sulfonylphenyl]sulfonylazepane
CID 1167101
1-benzyl-4-[3-(phenoxymethyl)phenyl]sulfonylpiperazine
CID 71691327

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperazin-1-yl)sulfonyl-N-ethylpyridin-2-amine?
The IUPAC name of 4-(4-benzylpiperazin-1-yl)sulfonyl-N-ethylpyridin-2-amine (CID 113228640) is 4-(4-benzylpiperazin-1-yl)sulfonyl-N-ethylpyridin-2-amine.
What is the SMILES notation for 4-(4-benzylpiperazin-1-yl)sulfonyl-N-ethylpyridin-2-amine?
The canonical SMILES for 4-(4-benzylpiperazin-1-yl)sulfonyl-N-ethylpyridin-2-amine is CCNc1cc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)ccn1.
What is the InChIKey of 4-(4-benzylpiperazin-1-yl)sulfonyl-N-ethylpyridin-2-amine?
The InChIKey is QVJUHCZNGDTJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S/c1-2-19-18-14-17(8-9-20-18)25(23,24)22-12-10-21(11-13-22)15-16-6-4-3-5-7-16/h3-9,14H,2,10-13,15H2,1H3,(H,19,20).
What are the key properties of 4-(4-benzylpiperazin-1-yl)sulfonyl-N-ethylpyridin-2-amine?
4-(4-benzylpiperazin-1-yl)sulfonyl-N-ethylpyridin-2-amine has a molecular weight of 360.48 g/mol, XLogP of 2.02, 6 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-ethylpyridin-2-amine is sourced from PubChem (CID 113228640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).