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

C10H15N3O5S — CID 54878634

IUPAC5-[4-(hydroxymethyl)piperidin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(S(=O)(=O)N2CCC(CO)CC2)c(=O)[nH]1
InChIInChI=1S/C10H15N3O5S/c14-6-7-1-3-13(4-2-7)19(17,18)8-5-11-10(16)12-9(8)15/h5,7,14H,1-4,6H2,(H2,11,12,15,16)
InChIKeyWAFUNDCPEJAFAO-UHFFFAOYSA-N
MW289.31 g/mol
LogP-1.54
Rot. Bonds3

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

5-[4-(hydroxymethyl)piperidin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione (PubChem CID 54878634) has the molecular formula C10H15N3O5S and a molecular weight of 289.31 g/mol. Its IUPAC name is 5-[4-(hydroxymethyl)piperidin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[4-(hydroxymethyl)piperidin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione
PubChem CID54878634
Molecular FormulaC10H15N3O5S
Molecular Weight289.31 g/mol
Exact Mass289.07
IUPAC Name5-[4-(hydroxymethyl)piperidin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(S(=O)(=O)N2CCC(CO)CC2)c(=O)[nH]1
InChIInChI=1S/C10H15N3O5S/c14-6-7-1-3-13(4-2-7)19(17,18)8-5-11-10(16)12-9(8)15/h5,7,14H,1-4,6H2,(H2,11,12,15,16)
InChIKeyWAFUNDCPEJAFAO-UHFFFAOYSA-N
XLogP-1.54
TPSA123.33 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 5-1.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(hydroxymethyl)piperidin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[4-(hydroxymethyl)piperidin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione (CID 54878634) is 5-[4-(hydroxymethyl)piperidin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[4-(hydroxymethyl)piperidin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[4-(hydroxymethyl)piperidin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione is O=c1[nH]cc(S(=O)(=O)N2CCC(CO)CC2)c(=O)[nH]1.
What is the InChIKey of 5-[4-(hydroxymethyl)piperidin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione?
The InChIKey is WAFUNDCPEJAFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O5S/c14-6-7-1-3-13(4-2-7)19(17,18)8-5-11-10(16)12-9(8)15/h5,7,14H,1-4,6H2,(H2,11,12,15,16).
What are the key properties of 5-[4-(hydroxymethyl)piperidin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione?
5-[4-(hydroxymethyl)piperidin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione has a molecular weight of 289.31 g/mol, XLogP of -1.54, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(hydroxymethyl)piperidin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 54878634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).