5-piperidin-1-ylsulfonyl-1H-pyrimidin-2-one

C9H13N3O3S — CID 123394994

IUPAC5-piperidin-1-ylsulfonyl-1H-pyrimidin-2-one
SMILESO=c1ncc(S(=O)(=O)N2CCCCC2)c[nH]1
InChIInChI=1S/C9H13N3O3S/c13-9-10-6-8(7-11-9)16(14,15)12-4-2-1-3-5-12/h6-7H,1-5H2,(H,10,11,13)
InChIKeyVFYYWVUXWMKRIS-UHFFFAOYSA-N
MW243.29 g/mol
LogP-0.06
Rot. Bonds2

About 5-piperidin-1-ylsulfonyl-1H-pyrimidin-2-one

5-piperidin-1-ylsulfonyl-1H-pyrimidin-2-one (PubChem CID 123394994) has the molecular formula C9H13N3O3S and a molecular weight of 243.29 g/mol. Its IUPAC name is 5-piperidin-1-ylsulfonyl-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-piperidin-1-ylsulfonyl-1H-pyrimidin-2-one
PubChem CID123394994
Molecular FormulaC9H13N3O3S
Molecular Weight243.29 g/mol
Exact Mass243.07
IUPAC Name5-piperidin-1-ylsulfonyl-1H-pyrimidin-2-one
SMILESO=c1ncc(S(=O)(=O)N2CCCCC2)c[nH]1
InChIInChI=1S/C9H13N3O3S/c13-9-10-6-8(7-11-9)16(14,15)12-4-2-1-3-5-12/h6-7H,1-5H2,(H,10,11,13)
InChIKeyVFYYWVUXWMKRIS-UHFFFAOYSA-N
XLogP-0.06
TPSA83.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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2-methoxy-5-piperidin-1-ylsulfonylpyridine
CID 5268012
5-(azocan-1-ylsulfonyl)pyridine-2-carbothioamide
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5-(azepan-1-ylsulfonyl)pyridine-2-carbothioamide
CID 114613969
6-(azepan-1-ylsulfonyl)-1H-benzimidazole
CID 110759998
piperidin-1-yl-(4-pyrrolidin-1-ylsulfonyl-1H-pyrrol-2-yl)methanone
CID 18108104
(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)methanamine
CID 114613060
1-[4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]sulfonylazepane
CID 24606772
2-ethoxy-5-piperidin-1-ylsulfonylpyridine
CID 5268013
1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]azocane
CID 54929965
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CID 43440229

Frequently Asked Questions

What is the IUPAC name of 5-piperidin-1-ylsulfonyl-1H-pyrimidin-2-one?
The IUPAC name of 5-piperidin-1-ylsulfonyl-1H-pyrimidin-2-one (CID 123394994) is 5-piperidin-1-ylsulfonyl-1H-pyrimidin-2-one.
What is the SMILES notation for 5-piperidin-1-ylsulfonyl-1H-pyrimidin-2-one?
The canonical SMILES for 5-piperidin-1-ylsulfonyl-1H-pyrimidin-2-one is O=c1ncc(S(=O)(=O)N2CCCCC2)c[nH]1.
What is the InChIKey of 5-piperidin-1-ylsulfonyl-1H-pyrimidin-2-one?
The InChIKey is VFYYWVUXWMKRIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3S/c13-9-10-6-8(7-11-9)16(14,15)12-4-2-1-3-5-12/h6-7H,1-5H2,(H,10,11,13).
What are the key properties of 5-piperidin-1-ylsulfonyl-1H-pyrimidin-2-one?
5-piperidin-1-ylsulfonyl-1H-pyrimidin-2-one has a molecular weight of 243.29 g/mol, XLogP of -0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperidin-1-ylsulfonyl-1H-pyrimidin-2-one is sourced from PubChem (CID 123394994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).