2-(4-cyclopropylsulfonylpiperazin-1-yl)-4,6-dimethylpyridine-3-carbonitrile

C15H20N4O2S — CID 154883013

IUPAC2-(4-cyclopropylsulfonylpiperazin-1-yl)-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(N2CCN(S(=O)(=O)C3CC3)CC2)n1
InChIInChI=1S/C15H20N4O2S/c1-11-9-12(2)17-15(14(11)10-16)18-5-7-19(8-6-18)22(20,21)13-3-4-13/h9,13H,3-8H2,1-2H3
InChIKeyZZOBJLLPRJQBDO-UHFFFAOYSA-N
MW320.42 g/mol
LogP1.18
Rot. Bonds3

About 2-(4-cyclopropylsulfonylpiperazin-1-yl)-4,6-dimethylpyridine-3-carbonitrile

2-(4-cyclopropylsulfonylpiperazin-1-yl)-4,6-dimethylpyridine-3-carbonitrile (PubChem CID 154883013) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is 2-(4-cyclopropylsulfonylpiperazin-1-yl)-4,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(4-cyclopropylsulfonylpiperazin-1-yl)-4,6-dimethylpyridine-3-carbonitrile
PubChem CID154883013
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC Name2-(4-cyclopropylsulfonylpiperazin-1-yl)-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(N2CCN(S(=O)(=O)C3CC3)CC2)n1
InChIInChI=1S/C15H20N4O2S/c1-11-9-12(2)17-15(14(11)10-16)18-5-7-19(8-6-18)22(20,21)13-3-4-13/h9,13H,3-8H2,1-2H3
InChIKeyZZOBJLLPRJQBDO-UHFFFAOYSA-N
XLogP1.18
TPSA77.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(azetidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile
CID 130547075
2-[4-[(3S)-1,1-dioxothiolan-3-yl]piperazin-1-yl]-4,6-dimethylpyridine-3-carbonitrile
CID 97236573
4,6-dimethyl-2-(4-propylpiperazin-1-yl)pyridine-3-carbonitrile
CID 60658707
4,6-dimethyl-2-(3-oxa-9-azaspiro[5.5]undecan-9-yl)pyridine-3-carbonitrile
CID 56916954
2-[4-(3-cyano-4,6-dimethyl-2-pyridinyl)piperazin-1-yl]propanoic acid
CID 62310075
4,6-dimethyl-2-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]pyridine-3-carbonitrile
CID 166601275
2-(3-formylpiperidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile
CID 55100699
2-[4-(2-hydroxyphenyl)piperazin-1-yl]-4,6-dimethylpyridine-3-carbonitrile
CID 30633436
2-(3-hydroxypiperidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile
CID 60658799
1-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 171992682
2-(2,4-dimethylpiperidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile
CID 55061903
1-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-(oxan-4-yl)piperidine-4-carboxamide
CID 171992627

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropylsulfonylpiperazin-1-yl)-4,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 2-(4-cyclopropylsulfonylpiperazin-1-yl)-4,6-dimethylpyridine-3-carbonitrile (CID 154883013) is 2-(4-cyclopropylsulfonylpiperazin-1-yl)-4,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 2-(4-cyclopropylsulfonylpiperazin-1-yl)-4,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 2-(4-cyclopropylsulfonylpiperazin-1-yl)-4,6-dimethylpyridine-3-carbonitrile is Cc1cc(C)c(C#N)c(N2CCN(S(=O)(=O)C3CC3)CC2)n1.
What is the InChIKey of 2-(4-cyclopropylsulfonylpiperazin-1-yl)-4,6-dimethylpyridine-3-carbonitrile?
The InChIKey is ZZOBJLLPRJQBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-11-9-12(2)17-15(14(11)10-16)18-5-7-19(8-6-18)22(20,21)13-3-4-13/h9,13H,3-8H2,1-2H3.
What are the key properties of 2-(4-cyclopropylsulfonylpiperazin-1-yl)-4,6-dimethylpyridine-3-carbonitrile?
2-(4-cyclopropylsulfonylpiperazin-1-yl)-4,6-dimethylpyridine-3-carbonitrile has a molecular weight of 320.42 g/mol, XLogP of 1.18, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropylsulfonylpiperazin-1-yl)-4,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 154883013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).