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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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).