2-[1-(5-methylsulfonyl-2-pyridinyl)piperidin-4-yl]pyrimidine

C15H18N4O2S — CID 154787039

IUPAC2-[1-(5-methylsulfonyl-2-pyridinyl)piperidin-4-yl]pyrimidine
SMILESCS(=O)(=O)c1ccc(N2CCC(c3ncccn3)CC2)nc1
InChIInChI=1S/C15H18N4O2S/c1-22(20,21)13-3-4-14(18-11-13)19-9-5-12(6-10-19)15-16-7-2-8-17-15/h2-4,7-8,11-12H,5-6,9-10H2,1H3
InChIKeyQLLWMFAKIFDYJT-UHFFFAOYSA-N
MW318.40 g/mol
LogP1.66
Rot. Bonds3

About 2-[1-(5-methylsulfonyl-2-pyridinyl)piperidin-4-yl]pyrimidine

2-[1-(5-methylsulfonyl-2-pyridinyl)piperidin-4-yl]pyrimidine (PubChem CID 154787039) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is 2-[1-(5-methylsulfonyl-2-pyridinyl)piperidin-4-yl]pyrimidine.

Molecular Properties

Compound Name2-[1-(5-methylsulfonyl-2-pyridinyl)piperidin-4-yl]pyrimidine
PubChem CID154787039
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC Name2-[1-(5-methylsulfonyl-2-pyridinyl)piperidin-4-yl]pyrimidine
SMILESCS(=O)(=O)c1ccc(N2CCC(c3ncccn3)CC2)nc1
InChIInChI=1S/C15H18N4O2S/c1-22(20,21)13-3-4-14(18-11-13)19-9-5-12(6-10-19)15-16-7-2-8-17-15/h2-4,7-8,11-12H,5-6,9-10H2,1H3
InChIKeyQLLWMFAKIFDYJT-UHFFFAOYSA-N
XLogP1.66
TPSA76.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-4-phenylazepane
CID 133286681
(1S,5R)-7-(5-methylsulfonyl-2-pyridinyl)-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one
CID 155914093
1-[5-(dimethylsulfamoyl)-2-pyridinyl]piperidine-4-carboxylic acid
CID 103340811
8a-ethyl-7-(5-methylsulfonyl-2-pyridinyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 154563418
6-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]pyridine-3-sulfonamide
CID 17421706
6-pyrrolidin-1-ylpyridine-3-sulfonamide
CID 9115059
(5S)-5-methyl-7-(5-methylsulfonyl-2-pyridinyl)-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 165427884
6-[4-(2-aminoethyl)piperidin-1-yl]-N,N-dimethylpyridine-3-sulfonamide
CID 103341143
2-[4-[(2R)-4-(4-methylsulfonylphenoxy)butan-2-yl]piperidin-1-yl]pyridine
CID 44608531
5-piperidin-1-ylsulfonyl-2-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyridine
CID 133349588
N-[4-(furan-2-yl)-5-pyridin-4-yl-1,3-thiazol-2-yl]-1-(5-methylsulfonyl-2-pyridinyl)piperidine-4-carboxamide
CID 23144743
5-fluoro-2-(4-pyrimidin-2-ylpiperidin-1-yl)pyrimidine
CID 138050657

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-methylsulfonyl-2-pyridinyl)piperidin-4-yl]pyrimidine?
The IUPAC name of 2-[1-(5-methylsulfonyl-2-pyridinyl)piperidin-4-yl]pyrimidine (CID 154787039) is 2-[1-(5-methylsulfonyl-2-pyridinyl)piperidin-4-yl]pyrimidine.
What is the SMILES notation for 2-[1-(5-methylsulfonyl-2-pyridinyl)piperidin-4-yl]pyrimidine?
The canonical SMILES for 2-[1-(5-methylsulfonyl-2-pyridinyl)piperidin-4-yl]pyrimidine is CS(=O)(=O)c1ccc(N2CCC(c3ncccn3)CC2)nc1.
What is the InChIKey of 2-[1-(5-methylsulfonyl-2-pyridinyl)piperidin-4-yl]pyrimidine?
The InChIKey is QLLWMFAKIFDYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S/c1-22(20,21)13-3-4-14(18-11-13)19-9-5-12(6-10-19)15-16-7-2-8-17-15/h2-4,7-8,11-12H,5-6,9-10H2,1H3.
What are the key properties of 2-[1-(5-methylsulfonyl-2-pyridinyl)piperidin-4-yl]pyrimidine?
2-[1-(5-methylsulfonyl-2-pyridinyl)piperidin-4-yl]pyrimidine has a molecular weight of 318.40 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-methylsulfonyl-2-pyridinyl)piperidin-4-yl]pyrimidine is sourced from PubChem (CID 154787039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).