4-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]oxythieno[3,2-d]pyrimidine

C18H19N3O3S2 — CID 155595873

IUPAC4-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]oxythieno[3,2-d]pyrimidine
SMILESCc1ccc(S(=O)(=O)N2CCC(Oc3ncnc4ccsc34)CC2)cc1
InChIInChI=1S/C18H19N3O3S2/c1-13-2-4-15(5-3-13)26(22,23)21-9-6-14(7-10-21)24-18-17-16(8-11-25-17)19-12-20-18/h2-5,8,11-12,14H,6-7,9-10H2,1H3
InChIKeyQDRLPLWIBHNYNB-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.23
Rot. Bonds4

About 4-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]oxythieno[3,2-d]pyrimidine

4-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]oxythieno[3,2-d]pyrimidine (PubChem CID 155595873) has the molecular formula C18H19N3O3S2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 4-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]oxythieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]oxythieno[3,2-d]pyrimidine
PubChem CID155595873
Molecular FormulaC18H19N3O3S2
Molecular Weight389.50 g/mol
Exact Mass389.09
IUPAC Name4-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]oxythieno[3,2-d]pyrimidine
SMILESCc1ccc(S(=O)(=O)N2CCC(Oc3ncnc4ccsc34)CC2)cc1
InChIInChI=1S/C18H19N3O3S2/c1-13-2-4-15(5-3-13)26(22,23)21-9-6-14(7-10-21)24-18-17-16(8-11-25-17)19-12-20-18/h2-5,8,11-12,14H,6-7,9-10H2,1H3
InChIKeyQDRLPLWIBHNYNB-UHFFFAOYSA-N
XLogP3.23
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[1-(3-phenoxyphenyl)sulfonylpiperidin-4-yl]oxythieno[3,2-d]pyrimidine
CID 163405561
4-[1-(1-benzylpyrazol-4-yl)sulfonylpiperidin-4-yl]oxythieno[3,2-d]pyrimidine
CID 163405560
4-[1-[(6-methoxy-3-pyridinyl)sulfanyl]piperidin-4-yl]oxythieno[3,2-d]pyrimidine
CID 167084570
3-methoxy-1-(4-methylphenyl)sulfonylpyrrolidine
CID 108781063
1-methyl-4,7,10-tris-(4-methylphenyl)sulfonyl-1,4,7,10-tetrazacyclododecane
CID 12035988
5-fluoro-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]quinazolin-4-amine
CID 78901348
4-(4-methylphenyl)sulfonylthiomorpholine
CID 4068383
2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]oxyacetic acid
CID 63876826
4-(3-ethylphenoxy)-1-(4-methylphenyl)sulfonylpiperidine
CID 110420727
1-methyl-4-[4-(4-methylphenyl)phenyl]sulfonylpiperazine
CID 889439
2-[1-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]piperidin-4-yl]oxy-1,3-thiazole
CID 86264487
3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]oxy-6-pyrazol-1-ylpyridazine
CID 121163360

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]oxythieno[3,2-d]pyrimidine?
The IUPAC name of 4-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]oxythieno[3,2-d]pyrimidine (CID 155595873) is 4-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]oxythieno[3,2-d]pyrimidine.
What is the SMILES notation for 4-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]oxythieno[3,2-d]pyrimidine?
The canonical SMILES for 4-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]oxythieno[3,2-d]pyrimidine is Cc1ccc(S(=O)(=O)N2CCC(Oc3ncnc4ccsc34)CC2)cc1.
What is the InChIKey of 4-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]oxythieno[3,2-d]pyrimidine?
The InChIKey is QDRLPLWIBHNYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S2/c1-13-2-4-15(5-3-13)26(22,23)21-9-6-14(7-10-21)24-18-17-16(8-11-25-17)19-12-20-18/h2-5,8,11-12,14H,6-7,9-10H2,1H3.
What are the key properties of 4-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]oxythieno[3,2-d]pyrimidine?
4-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]oxythieno[3,2-d]pyrimidine has a molecular weight of 389.50 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]oxythieno[3,2-d]pyrimidine is sourced from PubChem (CID 155595873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).