2-(3-methylpiperazin-1-yl)sulfonylpyridine-4-carbonitrile;hydrochloride

C11H15ClN4O2S — CID 71639453

IUPAC2-(3-methylpiperazin-1-yl)sulfonylpyridine-4-carbonitrile;hydrochloride
SMILESCC1CN(S(=O)(=O)c2cc(C#N)ccn2)CCN1.Cl
InChIInChI=1S/C11H14N4O2S.ClH/c1-9-8-15(5-4-13-9)18(16,17)11-6-10(7-12)2-3-14-11;/h2-3,6,9,13H,4-5,8H2,1H3;1H
InChIKeyGDBWHDKMMGHDCO-UHFFFAOYSA-N
MW302.79 g/mol
LogP0.36
Rot. Bonds2

About 2-(3-methylpiperazin-1-yl)sulfonylpyridine-4-carbonitrile;hydrochloride

2-(3-methylpiperazin-1-yl)sulfonylpyridine-4-carbonitrile;hydrochloride (PubChem CID 71639453) has the molecular formula C11H15ClN4O2S and a molecular weight of 302.79 g/mol. Its IUPAC name is 2-(3-methylpiperazin-1-yl)sulfonylpyridine-4-carbonitrile;hydrochloride.

Molecular Properties

Compound Name2-(3-methylpiperazin-1-yl)sulfonylpyridine-4-carbonitrile;hydrochloride
PubChem CID71639453
Molecular FormulaC11H15ClN4O2S
Molecular Weight302.79 g/mol
Exact Mass302.06
IUPAC Name2-(3-methylpiperazin-1-yl)sulfonylpyridine-4-carbonitrile;hydrochloride
SMILESCC1CN(S(=O)(=O)c2cc(C#N)ccn2)CCN1.Cl
InChIInChI=1S/C11H14N4O2S.ClH/c1-9-8-15(5-4-13-9)18(16,17)11-6-10(7-12)2-3-14-11;/h2-3,6,9,13H,4-5,8H2,1H3;1H
InChIKeyGDBWHDKMMGHDCO-UHFFFAOYSA-N
XLogP0.36
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.79
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-3-methyl-1-pyridin-2-ylsulfonylpiperazine
CID 86331843
4-[(3S)-3-methylpiperazin-1-yl]sulfonylbenzonitrile
CID 67348810
4-(3-methylpiperazin-1-yl)sulfonylbenzonitrile
CID 65449200
(3S)-3-methyl-1-[(5-nitro-2-pyridinyl)sulfonyl]piperazine
CID 97163318
(3R)-1-[(3-chloro-2-pyridinyl)sulfonyl]-3-methylpiperazine
CID 97163307
1-(benzenesulfonyl)-3-methylpiperazine;hydrochloride
CID 66582417
1-(furan-2-ylsulfonyl)-3-methylpiperazine
CID 120875176
1-(2,5-dichlorophenyl)sulfonyl-3-methylpiperazine;hydrochloride
CID 119981931
2-fluoro-6-[(3S)-3-methylpiperazin-1-yl]sulfonylbenzonitrile
CID 104976623
3-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine;hydrochloride
CID 119982062
sodium;4-cyanopyridine-2-sulfonic acid;hydride
CID 173157024
(3S)-1-(4-bromo-2-fluorophenyl)sulfonyl-3-methylpiperazine;hydrochloride
CID 120713063

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpiperazin-1-yl)sulfonylpyridine-4-carbonitrile;hydrochloride?
The IUPAC name of 2-(3-methylpiperazin-1-yl)sulfonylpyridine-4-carbonitrile;hydrochloride (CID 71639453) is 2-(3-methylpiperazin-1-yl)sulfonylpyridine-4-carbonitrile;hydrochloride.
What is the SMILES notation for 2-(3-methylpiperazin-1-yl)sulfonylpyridine-4-carbonitrile;hydrochloride?
The canonical SMILES for 2-(3-methylpiperazin-1-yl)sulfonylpyridine-4-carbonitrile;hydrochloride is CC1CN(S(=O)(=O)c2cc(C#N)ccn2)CCN1.Cl.
What is the InChIKey of 2-(3-methylpiperazin-1-yl)sulfonylpyridine-4-carbonitrile;hydrochloride?
The InChIKey is GDBWHDKMMGHDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S.ClH/c1-9-8-15(5-4-13-9)18(16,17)11-6-10(7-12)2-3-14-11;/h2-3,6,9,13H,4-5,8H2,1H3;1H.
What are the key properties of 2-(3-methylpiperazin-1-yl)sulfonylpyridine-4-carbonitrile;hydrochloride?
2-(3-methylpiperazin-1-yl)sulfonylpyridine-4-carbonitrile;hydrochloride has a molecular weight of 302.79 g/mol, XLogP of 0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpiperazin-1-yl)sulfonylpyridine-4-carbonitrile;hydrochloride is sourced from PubChem (CID 71639453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).