6-cyano-N-(4-methylpiperazin-1-yl)pyridine-3-sulfonamide

C11H15N5O2S — CID 114613912

IUPAC6-cyano-N-(4-methylpiperazin-1-yl)pyridine-3-sulfonamide
SMILESCN1CCN(NS(=O)(=O)c2ccc(C#N)nc2)CC1
InChIInChI=1S/C11H15N5O2S/c1-15-4-6-16(7-5-15)14-19(17,18)11-3-2-10(8-12)13-9-11/h2-3,9,14H,4-7H2,1H3
InChIKeyLXLLEZUGFZKZMV-UHFFFAOYSA-N
MW281.34 g/mol
LogP-0.61
Rot. Bonds3

About 6-cyano-N-(4-methylpiperazin-1-yl)pyridine-3-sulfonamide

6-cyano-N-(4-methylpiperazin-1-yl)pyridine-3-sulfonamide (PubChem CID 114613912) has the molecular formula C11H15N5O2S and a molecular weight of 281.34 g/mol. Its IUPAC name is 6-cyano-N-(4-methylpiperazin-1-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-cyano-N-(4-methylpiperazin-1-yl)pyridine-3-sulfonamide
PubChem CID114613912
Molecular FormulaC11H15N5O2S
Molecular Weight281.34 g/mol
Exact Mass281.09
IUPAC Name6-cyano-N-(4-methylpiperazin-1-yl)pyridine-3-sulfonamide
SMILESCN1CCN(NS(=O)(=O)c2ccc(C#N)nc2)CC1
InChIInChI=1S/C11H15N5O2S/c1-15-4-6-16(7-5-15)14-19(17,18)11-3-2-10(8-12)13-9-11/h2-3,9,14H,4-7H2,1H3
InChIKeyLXLLEZUGFZKZMV-UHFFFAOYSA-N
XLogP-0.61
TPSA89.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-cyano-N-(4-methylpiperazin-1-yl)pyridine-3-sulfonamide?
The IUPAC name of 6-cyano-N-(4-methylpiperazin-1-yl)pyridine-3-sulfonamide (CID 114613912) is 6-cyano-N-(4-methylpiperazin-1-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-cyano-N-(4-methylpiperazin-1-yl)pyridine-3-sulfonamide?
The canonical SMILES for 6-cyano-N-(4-methylpiperazin-1-yl)pyridine-3-sulfonamide is CN1CCN(NS(=O)(=O)c2ccc(C#N)nc2)CC1.
What is the InChIKey of 6-cyano-N-(4-methylpiperazin-1-yl)pyridine-3-sulfonamide?
The InChIKey is LXLLEZUGFZKZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2S/c1-15-4-6-16(7-5-15)14-19(17,18)11-3-2-10(8-12)13-9-11/h2-3,9,14H,4-7H2,1H3.
What are the key properties of 6-cyano-N-(4-methylpiperazin-1-yl)pyridine-3-sulfonamide?
6-cyano-N-(4-methylpiperazin-1-yl)pyridine-3-sulfonamide has a molecular weight of 281.34 g/mol, XLogP of -0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-N-(4-methylpiperazin-1-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 114613912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).