2-[[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-3-yl]methoxy]pyrimidine

C16H21N3O3S2 — CID 138989165

IUPAC2-[[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-3-yl]methoxy]pyrimidine
SMILESCCc1ccc(S(=O)(=O)N2CCCC(COc3ncccn3)C2)s1
InChIInChI=1S/C16H21N3O3S2/c1-2-14-6-7-15(23-14)24(20,21)19-10-3-5-13(11-19)12-22-16-17-8-4-9-18-16/h4,6-9,13H,2-3,5,10-12H2,1H3
InChIKeyJPZXFNSQYNBEBV-UHFFFAOYSA-N
MW367.50 g/mol
LogP2.58
Rot. Bonds6

About 2-[[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-3-yl]methoxy]pyrimidine

2-[[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-3-yl]methoxy]pyrimidine (PubChem CID 138989165) has the molecular formula C16H21N3O3S2 and a molecular weight of 367.50 g/mol. Its IUPAC name is 2-[[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-3-yl]methoxy]pyrimidine.

Molecular Properties

Compound Name2-[[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-3-yl]methoxy]pyrimidine
PubChem CID138989165
Molecular FormulaC16H21N3O3S2
Molecular Weight367.50 g/mol
Exact Mass367.10
IUPAC Name2-[[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-3-yl]methoxy]pyrimidine
SMILESCCc1ccc(S(=O)(=O)N2CCCC(COc3ncccn3)C2)s1
InChIInChI=1S/C16H21N3O3S2/c1-2-14-6-7-15(23-14)24(20,21)19-10-3-5-13(11-19)12-22-16-17-8-4-9-18-16/h4,6-9,13H,2-3,5,10-12H2,1H3
InChIKeyJPZXFNSQYNBEBV-UHFFFAOYSA-N
XLogP2.58
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(5-ethylthiophen-2-yl)sulfonyl-3-(methoxymethyl)piperidine
CID 121092333
3-[(2-methylphenoxy)methyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine
CID 110410538
3-(chloromethyl)-1-(5-ethylthiophen-2-yl)sulfonylpyrrolidine
CID 63400980
1-(5-ethylthiophen-2-yl)sulfonyl-4-[(4-fluorophenoxy)methyl]piperidine
CID 110639091
4-bromo-1-(5-ethylthiophen-2-yl)sulfonylpiperidine
CID 80673139
3-[(4-methylphenoxy)methyl]-1-thiophen-2-ylsulfonylpiperidine
CID 110638586
4-[(2-ethylimidazol-1-yl)methyl]-1-(5-ethylthiophen-2-yl)sulfonylpiperidine
CID 90494131
5-[[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-3-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole
CID 90642809
3-chloro-2-[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-4-yl]oxypyridine
CID 71798897
1-(5-ethylthiophen-2-yl)sulfonyl-4-methylpiperidine
CID 110755253
2-ethyl-1-(5-ethylthiophen-2-yl)sulfonylpyrrolidine
CID 110429024
2-[1-(5-ethylthiophen-2-yl)sulfonylazetidin-3-yl]oxypyridine-3-carbonitrile
CID 122249356

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-3-yl]methoxy]pyrimidine?
The IUPAC name of 2-[[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-3-yl]methoxy]pyrimidine (CID 138989165) is 2-[[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-3-yl]methoxy]pyrimidine.
What is the SMILES notation for 2-[[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-3-yl]methoxy]pyrimidine?
The canonical SMILES for 2-[[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-3-yl]methoxy]pyrimidine is CCc1ccc(S(=O)(=O)N2CCCC(COc3ncccn3)C2)s1.
What is the InChIKey of 2-[[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-3-yl]methoxy]pyrimidine?
The InChIKey is JPZXFNSQYNBEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S2/c1-2-14-6-7-15(23-14)24(20,21)19-10-3-5-13(11-19)12-22-16-17-8-4-9-18-16/h4,6-9,13H,2-3,5,10-12H2,1H3.
What are the key properties of 2-[[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-3-yl]methoxy]pyrimidine?
2-[[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-3-yl]methoxy]pyrimidine has a molecular weight of 367.50 g/mol, XLogP of 2.58, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-3-yl]methoxy]pyrimidine is sourced from PubChem (CID 138989165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).