5-(4-piperidin-1-ylsulfonylphenyl)-1H-pyrimidine-2,4-dione

C15H17N3O4S — CID 53222473

IUPAC5-(4-piperidin-1-ylsulfonylphenyl)-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)c(=O)[nH]1
InChIInChI=1S/C15H17N3O4S/c19-14-13(10-16-15(20)17-14)11-4-6-12(7-5-11)23(21,22)18-8-2-1-3-9-18/h4-7,10H,1-3,8-9H2,(H2,16,17,19,20)
InChIKeyZRBWGKVBQPRLEM-UHFFFAOYSA-N
MW335.39 g/mol
LogP0.90
Rot. Bonds3

About 5-(4-piperidin-1-ylsulfonylphenyl)-1H-pyrimidine-2,4-dione

5-(4-piperidin-1-ylsulfonylphenyl)-1H-pyrimidine-2,4-dione (PubChem CID 53222473) has the molecular formula C15H17N3O4S and a molecular weight of 335.39 g/mol. Its IUPAC name is 5-(4-piperidin-1-ylsulfonylphenyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(4-piperidin-1-ylsulfonylphenyl)-1H-pyrimidine-2,4-dione
PubChem CID53222473
Molecular FormulaC15H17N3O4S
Molecular Weight335.39 g/mol
Exact Mass335.09
IUPAC Name5-(4-piperidin-1-ylsulfonylphenyl)-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)c(=O)[nH]1
InChIInChI=1S/C15H17N3O4S/c19-14-13(10-16-15(20)17-14)11-4-6-12(7-5-11)23(21,22)18-8-2-1-3-9-18/h4-7,10H,1-3,8-9H2,(H2,16,17,19,20)
InChIKeyZRBWGKVBQPRLEM-UHFFFAOYSA-N
XLogP0.90
TPSA103.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-pyrrolidin-1-ylsulfonylphenyl)benzoic acid
CID 53218491
1-[4-(4-methylphenyl)phenyl]sulfonylazepane
CID 852205
1-(4-methylphenyl)sulfonyl-azacycloundecane
CID 12715310
1-[4-[5-[4-(azepan-1-ylsulfonyl)phenyl]furan-2-yl]phenyl]sulfonylazepane
CID 50875581
(11E)-1-(4-methylphenyl)sulfonyl-1-azacyclohenicos-11-ene
CID 11396698
(4-piperidin-1-ylsulfonylphenyl)phosphane
CID 142954366
2-(azepan-1-ylsulfonyl)-7-piperidin-1-ylsulfonylfluoren-9-one
CID 2802043
2,7-bis(azepan-1-ylsulfonyl)fluoren-9-one
CID 981056
2-(4-piperidin-1-ylsulfonylphenyl)-1H-benzimidazole
CID 101077984
3-(4-pyrrolidin-1-ylsulfonylphenyl)pyridine-4-carboxylic acid
CID 53224683
4-(4-piperidin-1-ylsulfonylphenyl)pyrazol-3-one
CID 140973954
4-(azocan-1-ylsulfonyl)benzoic acid
CID 23604687

Frequently Asked Questions

What is the IUPAC name of 5-(4-piperidin-1-ylsulfonylphenyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-(4-piperidin-1-ylsulfonylphenyl)-1H-pyrimidine-2,4-dione (CID 53222473) is 5-(4-piperidin-1-ylsulfonylphenyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-(4-piperidin-1-ylsulfonylphenyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-(4-piperidin-1-ylsulfonylphenyl)-1H-pyrimidine-2,4-dione is O=c1[nH]cc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)c(=O)[nH]1.
What is the InChIKey of 5-(4-piperidin-1-ylsulfonylphenyl)-1H-pyrimidine-2,4-dione?
The InChIKey is ZRBWGKVBQPRLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4S/c19-14-13(10-16-15(20)17-14)11-4-6-12(7-5-11)23(21,22)18-8-2-1-3-9-18/h4-7,10H,1-3,8-9H2,(H2,16,17,19,20).
What are the key properties of 5-(4-piperidin-1-ylsulfonylphenyl)-1H-pyrimidine-2,4-dione?
5-(4-piperidin-1-ylsulfonylphenyl)-1H-pyrimidine-2,4-dione has a molecular weight of 335.39 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-piperidin-1-ylsulfonylphenyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 53222473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).