4-(1-thiophen-3-ylsulfonylpiperidin-3-yl)pyrimidine

C13H15N3O2S2 — CID 45220193

IUPAC4-(1-thiophen-3-ylsulfonylpiperidin-3-yl)pyrimidine
SMILESO=S(=O)(c1ccsc1)N1CCCC(c2ccncn2)C1
InChIInChI=1S/C13H15N3O2S2/c17-20(18,12-4-7-19-9-12)16-6-1-2-11(8-16)13-3-5-14-10-15-13/h3-5,7,9-11H,1-2,6,8H2
InChIKeyIETACENDRSMHMB-UHFFFAOYSA-N
MW309.42 g/mol
LogP2.11
Rot. Bonds3

About 4-(1-thiophen-3-ylsulfonylpiperidin-3-yl)pyrimidine

4-(1-thiophen-3-ylsulfonylpiperidin-3-yl)pyrimidine (PubChem CID 45220193) has the molecular formula C13H15N3O2S2 and a molecular weight of 309.42 g/mol. Its IUPAC name is 4-(1-thiophen-3-ylsulfonylpiperidin-3-yl)pyrimidine.

Molecular Properties

Compound Name4-(1-thiophen-3-ylsulfonylpiperidin-3-yl)pyrimidine
PubChem CID45220193
Molecular FormulaC13H15N3O2S2
Molecular Weight309.42 g/mol
Exact Mass309.06
IUPAC Name4-(1-thiophen-3-ylsulfonylpiperidin-3-yl)pyrimidine
SMILESO=S(=O)(c1ccsc1)N1CCCC(c2ccncn2)C1
InChIInChI=1S/C13H15N3O2S2/c17-20(18,12-4-7-19-9-12)16-6-1-2-11(8-16)13-3-5-14-10-15-13/h3-5,7,9-11H,1-2,6,8H2
InChIKeyIETACENDRSMHMB-UHFFFAOYSA-N
XLogP2.11
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3S)-1-(3-methoxyphenyl)sulfonylpiperidin-3-yl]pyrimidine
CID 124956425
4-[(3R)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-2-methylpyrimidine
CID 125006109
4-[(3R)-1-[(4-methylsulfonylphenyl)methyl]piperidin-3-yl]pyrimidine
CID 124984221
4-[1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]pyrimidine
CID 95846072
N-[2-oxo-2-(3-pyrimidin-4-ylpiperidin-1-yl)ethyl]methanesulfonamide
CID 110096368
4-[(3R)-1-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-3-yl]pyrimidine
CID 98323673
12-thiophen-3-ylsulfonyl-1,6,9,12-tetrazatricyclo[8.4.0.03,8]tetradeca-3(8),4,6-trien-2-one
CID 154704151
4-(1-methylsulfonylpiperidin-3-yl)-5-pyridin-4-ylpyrimidine
CID 126468341
(3S)-N-(4-fluorophenyl)-3-pyrimidin-4-ylpiperidine-1-carboxamide
CID 125157690
4-(1-pyridin-2-ylpiperidin-3-yl)pyrimidine
CID 122602482
2-[(3R)-1-(3,4-difluorophenyl)sulfonylpiperidin-3-yl]-1,3-thiazole
CID 124562567
5-[[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methyl]-1,3-thiazole
CID 124980487

Frequently Asked Questions

What is the IUPAC name of 4-(1-thiophen-3-ylsulfonylpiperidin-3-yl)pyrimidine?
The IUPAC name of 4-(1-thiophen-3-ylsulfonylpiperidin-3-yl)pyrimidine (CID 45220193) is 4-(1-thiophen-3-ylsulfonylpiperidin-3-yl)pyrimidine.
What is the SMILES notation for 4-(1-thiophen-3-ylsulfonylpiperidin-3-yl)pyrimidine?
The canonical SMILES for 4-(1-thiophen-3-ylsulfonylpiperidin-3-yl)pyrimidine is O=S(=O)(c1ccsc1)N1CCCC(c2ccncn2)C1.
What is the InChIKey of 4-(1-thiophen-3-ylsulfonylpiperidin-3-yl)pyrimidine?
The InChIKey is IETACENDRSMHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S2/c17-20(18,12-4-7-19-9-12)16-6-1-2-11(8-16)13-3-5-14-10-15-13/h3-5,7,9-11H,1-2,6,8H2.
What are the key properties of 4-(1-thiophen-3-ylsulfonylpiperidin-3-yl)pyrimidine?
4-(1-thiophen-3-ylsulfonylpiperidin-3-yl)pyrimidine has a molecular weight of 309.42 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-thiophen-3-ylsulfonylpiperidin-3-yl)pyrimidine is sourced from PubChem (CID 45220193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).