5-piperidin-1-ylsulfonyl-1H-pyrimidine-2,4-dione

C9H13N3O4S — CID 43980556

IUPAC5-piperidin-1-ylsulfonyl-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(S(=O)(=O)N2CCCCC2)c(=O)[nH]1
InChIInChI=1S/C9H13N3O4S/c13-8-7(6-10-9(14)11-8)17(15,16)12-4-2-1-3-5-12/h6H,1-5H2,(H2,10,11,13,14)
InChIKeyDYUFKTRXVRQZPD-UHFFFAOYSA-N
MW259.29 g/mol
LogP-0.76
Rot. Bonds2

About 5-piperidin-1-ylsulfonyl-1H-pyrimidine-2,4-dione

5-piperidin-1-ylsulfonyl-1H-pyrimidine-2,4-dione (PubChem CID 43980556) has the molecular formula C9H13N3O4S and a molecular weight of 259.29 g/mol. Its IUPAC name is 5-piperidin-1-ylsulfonyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-piperidin-1-ylsulfonyl-1H-pyrimidine-2,4-dione
PubChem CID43980556
Molecular FormulaC9H13N3O4S
Molecular Weight259.29 g/mol
Exact Mass259.06
IUPAC Name5-piperidin-1-ylsulfonyl-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(S(=O)(=O)N2CCCCC2)c(=O)[nH]1
InChIInChI=1S/C9H13N3O4S/c13-8-7(6-10-9(14)11-8)17(15,16)12-4-2-1-3-5-12/h6H,1-5H2,(H2,10,11,13,14)
InChIKeyDYUFKTRXVRQZPD-UHFFFAOYSA-N
XLogP-0.76
TPSA103.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-piperidin-1-ylsulfonyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-piperidin-1-ylsulfonyl-1H-pyrimidine-2,4-dione (CID 43980556) is 5-piperidin-1-ylsulfonyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-piperidin-1-ylsulfonyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-piperidin-1-ylsulfonyl-1H-pyrimidine-2,4-dione is O=c1[nH]cc(S(=O)(=O)N2CCCCC2)c(=O)[nH]1.
What is the InChIKey of 5-piperidin-1-ylsulfonyl-1H-pyrimidine-2,4-dione?
The InChIKey is DYUFKTRXVRQZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O4S/c13-8-7(6-10-9(14)11-8)17(15,16)12-4-2-1-3-5-12/h6H,1-5H2,(H2,10,11,13,14).
What are the key properties of 5-piperidin-1-ylsulfonyl-1H-pyrimidine-2,4-dione?
5-piperidin-1-ylsulfonyl-1H-pyrimidine-2,4-dione has a molecular weight of 259.29 g/mol, XLogP of -0.76, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperidin-1-ylsulfonyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 43980556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).