4-(1-methylsulfonylpiperidin-4-yl)pyrimidine

C10H15N3O2S — CID 95805182

IUPAC4-(1-methylsulfonylpiperidin-4-yl)pyrimidine
SMILESCS(=O)(=O)N1CCC(c2ccncn2)CC1
InChIInChI=1S/C10H15N3O2S/c1-16(14,15)13-6-3-9(4-7-13)10-2-5-11-8-12-10/h2,5,8-9H,3-4,6-7H2,1H3
InChIKeyYFZPSHYPUKPCPX-UHFFFAOYSA-N
MW241.32 g/mol
LogP0.62
Rot. Bonds2

About 4-(1-methylsulfonylpiperidin-4-yl)pyrimidine

4-(1-methylsulfonylpiperidin-4-yl)pyrimidine (PubChem CID 95805182) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is 4-(1-methylsulfonylpiperidin-4-yl)pyrimidine.

Molecular Properties

Compound Name4-(1-methylsulfonylpiperidin-4-yl)pyrimidine
PubChem CID95805182
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Name4-(1-methylsulfonylpiperidin-4-yl)pyrimidine
SMILESCS(=O)(=O)N1CCC(c2ccncn2)CC1
InChIInChI=1S/C10H15N3O2S/c1-16(14,15)13-6-3-9(4-7-13)10-2-5-11-8-12-10/h2,5,8-9H,3-4,6-7H2,1H3
InChIKeyYFZPSHYPUKPCPX-UHFFFAOYSA-N
XLogP0.62
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Isopropyl-N,N-dimethylpyrimidin-2-amine
CID 10820941
4-Isobutylpyrimidine
CID 565104
4-Cyclohexylpyrimidine
CID 11672715
4-(Propan-2-yl)pyrimidin-2-amine
CID 14639241
4-(Piperidin-4-yl)pyrimidine
CID 17894842
2-Chloro-4-isopropylpyrimidine
CID 24901916
4-(Piperidin-3-yl)pyrimidin-2-amine
CID 61727251
4-Cyclopropyl-2-methanesulfonylpyrimidine
CID 83880313
N,N-dimethyl-4-pyrimidin-4-ylpiperidine-1-sulfonamide
CID 73439009
N,N-dimethyl-3-(2-methylpyrimidin-4-yl)azetidine-1-sulfonamide
CID 73439194
N,N-dimethyl-3-pyrimidin-4-ylpiperidine-1-sulfonamide
CID 73439495
N,N-dimethyl-4-(1-pyrimidin-2-ylpiperidin-4-yl)pyrimidin-2-amine
CID 95816988

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylsulfonylpiperidin-4-yl)pyrimidine?
The IUPAC name of 4-(1-methylsulfonylpiperidin-4-yl)pyrimidine (CID 95805182) is 4-(1-methylsulfonylpiperidin-4-yl)pyrimidine.
What is the SMILES notation for 4-(1-methylsulfonylpiperidin-4-yl)pyrimidine?
The canonical SMILES for 4-(1-methylsulfonylpiperidin-4-yl)pyrimidine is CS(=O)(=O)N1CCC(c2ccncn2)CC1.
What is the InChIKey of 4-(1-methylsulfonylpiperidin-4-yl)pyrimidine?
The InChIKey is YFZPSHYPUKPCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-16(14,15)13-6-3-9(4-7-13)10-2-5-11-8-12-10/h2,5,8-9H,3-4,6-7H2,1H3.
What are the key properties of 4-(1-methylsulfonylpiperidin-4-yl)pyrimidine?
4-(1-methylsulfonylpiperidin-4-yl)pyrimidine has a molecular weight of 241.32 g/mol, XLogP of 0.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylsulfonylpiperidin-4-yl)pyrimidine is sourced from PubChem (CID 95805182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).