2,4-dimethyl-6-(1-thiophen-2-ylsulfonylpiperidin-4-yl)oxypyrimidine

C15H19N3O3S2 — CID 121161086

IUPAC2,4-dimethyl-6-(1-thiophen-2-ylsulfonylpiperidin-4-yl)oxypyrimidine
SMILESCc1cc(OC2CCN(S(=O)(=O)c3cccs3)CC2)nc(C)n1
InChIInChI=1S/C15H19N3O3S2/c1-11-10-14(17-12(2)16-11)21-13-5-7-18(8-6-13)23(19,20)15-4-3-9-22-15/h3-4,9-10,13H,5-8H2,1-2H3
InChIKeyHPCGKBYTZZBRPC-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.39
Rot. Bonds4

About 2,4-dimethyl-6-(1-thiophen-2-ylsulfonylpiperidin-4-yl)oxypyrimidine

2,4-dimethyl-6-(1-thiophen-2-ylsulfonylpiperidin-4-yl)oxypyrimidine (PubChem CID 121161086) has the molecular formula C15H19N3O3S2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 2,4-dimethyl-6-(1-thiophen-2-ylsulfonylpiperidin-4-yl)oxypyrimidine.

Molecular Properties

Compound Name2,4-dimethyl-6-(1-thiophen-2-ylsulfonylpiperidin-4-yl)oxypyrimidine
PubChem CID121161086
Molecular FormulaC15H19N3O3S2
Molecular Weight353.47 g/mol
Exact Mass353.09
IUPAC Name2,4-dimethyl-6-(1-thiophen-2-ylsulfonylpiperidin-4-yl)oxypyrimidine
SMILESCc1cc(OC2CCN(S(=O)(=O)c3cccs3)CC2)nc(C)n1
InChIInChI=1S/C15H19N3O3S2/c1-11-10-14(17-12(2)16-11)21-13-5-7-18(8-6-13)23(19,20)15-4-3-9-22-15/h3-4,9-10,13H,5-8H2,1-2H3
InChIKeyHPCGKBYTZZBRPC-UHFFFAOYSA-N
XLogP2.39
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]oxy-2,6-dimethylpyrimidine
CID 121161121
5-chloro-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)oxypyridine
CID 71798965
4-thiophen-3-yloxy-1-thiophen-2-ylsulfonylpiperidine
CID 122246250
N,N-dimethyl-6-(1-thiophen-2-ylsulfonylpyrrolidin-3-yl)oxypyrazin-2-amine
CID 90638074
4-cyclobutyloxy-2,6-dimethylpyrimidine
CID 126953843
4-ethyl-1-thiophen-2-ylsulfonylpiperidine
CID 129259597
4-[4-(2-fluorophenoxy)piperidin-1-yl]-1-thiophen-2-ylsulfonylpiperidine
CID 86264461
methyl 4-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carbonyl]benzoate
CID 121017902
1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-thiophen-2-ylethanone
CID 122260319
methyl 2-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carbonyl]benzoate
CID 121160877
3-(1-thiophen-2-ylsulfonylpiperidin-4-yl)oxypropanoic acid
CID 63877371
5-fluoro-2-[(3R)-1-thiophen-2-ylsulfonylpyrrolidin-3-yl]oxypyrimidine
CID 129355039

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-(1-thiophen-2-ylsulfonylpiperidin-4-yl)oxypyrimidine?
The IUPAC name of 2,4-dimethyl-6-(1-thiophen-2-ylsulfonylpiperidin-4-yl)oxypyrimidine (CID 121161086) is 2,4-dimethyl-6-(1-thiophen-2-ylsulfonylpiperidin-4-yl)oxypyrimidine.
What is the SMILES notation for 2,4-dimethyl-6-(1-thiophen-2-ylsulfonylpiperidin-4-yl)oxypyrimidine?
The canonical SMILES for 2,4-dimethyl-6-(1-thiophen-2-ylsulfonylpiperidin-4-yl)oxypyrimidine is Cc1cc(OC2CCN(S(=O)(=O)c3cccs3)CC2)nc(C)n1.
What is the InChIKey of 2,4-dimethyl-6-(1-thiophen-2-ylsulfonylpiperidin-4-yl)oxypyrimidine?
The InChIKey is HPCGKBYTZZBRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S2/c1-11-10-14(17-12(2)16-11)21-13-5-7-18(8-6-13)23(19,20)15-4-3-9-22-15/h3-4,9-10,13H,5-8H2,1-2H3.
What are the key properties of 2,4-dimethyl-6-(1-thiophen-2-ylsulfonylpiperidin-4-yl)oxypyrimidine?
2,4-dimethyl-6-(1-thiophen-2-ylsulfonylpiperidin-4-yl)oxypyrimidine has a molecular weight of 353.47 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-(1-thiophen-2-ylsulfonylpiperidin-4-yl)oxypyrimidine is sourced from PubChem (CID 121161086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).