2-(benzenesulfonylmethyl)-6-(4-methylpiperazin-1-yl)pyridin-3-amine

C17H22N4O2S — CID 58934063

IUPAC2-(benzenesulfonylmethyl)-6-(4-methylpiperazin-1-yl)pyridin-3-amine
SMILESCN1CCN(c2ccc(N)c(CS(=O)(=O)c3ccccc3)n2)CC1
InChIInChI=1S/C17H22N4O2S/c1-20-9-11-21(12-10-20)17-8-7-15(18)16(19-17)13-24(22,23)14-5-3-2-4-6-14/h2-8H,9-13,18H2,1H3
InChIKeyZCSFIXKWHWQYQL-UHFFFAOYSA-N
MW346.46 g/mol
LogP1.39
Rot. Bonds4

About 2-(benzenesulfonylmethyl)-6-(4-methylpiperazin-1-yl)pyridin-3-amine

2-(benzenesulfonylmethyl)-6-(4-methylpiperazin-1-yl)pyridin-3-amine (PubChem CID 58934063) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is 2-(benzenesulfonylmethyl)-6-(4-methylpiperazin-1-yl)pyridin-3-amine.

Molecular Properties

Compound Name2-(benzenesulfonylmethyl)-6-(4-methylpiperazin-1-yl)pyridin-3-amine
PubChem CID58934063
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC Name2-(benzenesulfonylmethyl)-6-(4-methylpiperazin-1-yl)pyridin-3-amine
SMILESCN1CCN(c2ccc(N)c(CS(=O)(=O)c3ccccc3)n2)CC1
InChIInChI=1S/C17H22N4O2S/c1-20-9-11-21(12-10-20)17-8-7-15(18)16(19-17)13-24(22,23)14-5-3-2-4-6-14/h2-8H,9-13,18H2,1H3
InChIKeyZCSFIXKWHWQYQL-UHFFFAOYSA-N
XLogP1.39
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonylmethyl)-6-(4-methylpiperazin-1-yl)pyridin-3-amine?
The IUPAC name of 2-(benzenesulfonylmethyl)-6-(4-methylpiperazin-1-yl)pyridin-3-amine (CID 58934063) is 2-(benzenesulfonylmethyl)-6-(4-methylpiperazin-1-yl)pyridin-3-amine.
What is the SMILES notation for 2-(benzenesulfonylmethyl)-6-(4-methylpiperazin-1-yl)pyridin-3-amine?
The canonical SMILES for 2-(benzenesulfonylmethyl)-6-(4-methylpiperazin-1-yl)pyridin-3-amine is CN1CCN(c2ccc(N)c(CS(=O)(=O)c3ccccc3)n2)CC1.
What is the InChIKey of 2-(benzenesulfonylmethyl)-6-(4-methylpiperazin-1-yl)pyridin-3-amine?
The InChIKey is ZCSFIXKWHWQYQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-20-9-11-21(12-10-20)17-8-7-15(18)16(19-17)13-24(22,23)14-5-3-2-4-6-14/h2-8H,9-13,18H2,1H3.
What are the key properties of 2-(benzenesulfonylmethyl)-6-(4-methylpiperazin-1-yl)pyridin-3-amine?
2-(benzenesulfonylmethyl)-6-(4-methylpiperazin-1-yl)pyridin-3-amine has a molecular weight of 346.46 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonylmethyl)-6-(4-methylpiperazin-1-yl)pyridin-3-amine is sourced from PubChem (CID 58934063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).