5-[3-(2-hydroxyethyl)piperidin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione

C11H17N3O5S — CID 62356963

IUPAC5-[3-(2-hydroxyethyl)piperidin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(S(=O)(=O)N2CCCC(CCO)C2)c(=O)[nH]1
InChIInChI=1S/C11H17N3O5S/c15-5-3-8-2-1-4-14(7-8)20(18,19)9-6-12-11(17)13-10(9)16/h6,8,15H,1-5,7H2,(H2,12,13,16,17)
InChIKeyIXSXBLOVEONVNT-UHFFFAOYSA-N
MW303.34 g/mol
LogP-1.15
Rot. Bonds4

About 5-[3-(2-hydroxyethyl)piperidin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione

5-[3-(2-hydroxyethyl)piperidin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione (PubChem CID 62356963) has the molecular formula C11H17N3O5S and a molecular weight of 303.34 g/mol. Its IUPAC name is 5-[3-(2-hydroxyethyl)piperidin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[3-(2-hydroxyethyl)piperidin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione
PubChem CID62356963
Molecular FormulaC11H17N3O5S
Molecular Weight303.34 g/mol
Exact Mass303.09
IUPAC Name5-[3-(2-hydroxyethyl)piperidin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(S(=O)(=O)N2CCCC(CCO)C2)c(=O)[nH]1
InChIInChI=1S/C11H17N3O5S/c15-5-3-8-2-1-4-14(7-8)20(18,19)9-6-12-11(17)13-10(9)16/h6,8,15H,1-5,7H2,(H2,12,13,16,17)
InChIKeyIXSXBLOVEONVNT-UHFFFAOYSA-N
XLogP-1.15
TPSA123.33 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 5-1.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-hydroxyethyl)piperidin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[3-(2-hydroxyethyl)piperidin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione (CID 62356963) is 5-[3-(2-hydroxyethyl)piperidin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[3-(2-hydroxyethyl)piperidin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[3-(2-hydroxyethyl)piperidin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione is O=c1[nH]cc(S(=O)(=O)N2CCCC(CCO)C2)c(=O)[nH]1.
What is the InChIKey of 5-[3-(2-hydroxyethyl)piperidin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione?
The InChIKey is IXSXBLOVEONVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O5S/c15-5-3-8-2-1-4-14(7-8)20(18,19)9-6-12-11(17)13-10(9)16/h6,8,15H,1-5,7H2,(H2,12,13,16,17).
What are the key properties of 5-[3-(2-hydroxyethyl)piperidin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione?
5-[3-(2-hydroxyethyl)piperidin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione has a molecular weight of 303.34 g/mol, XLogP of -1.15, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-hydroxyethyl)piperidin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 62356963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).