5-[2-(hydroxymethyl)piperidin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione

C12H19N3O5S — CID 43574515

IUPAC5-[2-(hydroxymethyl)piperidin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1cc(S(=O)(=O)N2CCCCC2CO)c(=O)n(C)c1=O
InChIInChI=1S/C12H19N3O5S/c1-13-7-10(11(17)14(2)12(13)18)21(19,20)15-6-4-3-5-9(15)8-16/h7,9,16H,3-6,8H2,1-2H3
InChIKeyVWEHDOCQTGPUIZ-UHFFFAOYSA-N
MW317.37 g/mol
LogP-1.38
Rot. Bonds3

About 5-[2-(hydroxymethyl)piperidin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione

5-[2-(hydroxymethyl)piperidin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 43574515) has the molecular formula C12H19N3O5S and a molecular weight of 317.37 g/mol. Its IUPAC name is 5-[2-(hydroxymethyl)piperidin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[2-(hydroxymethyl)piperidin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione
PubChem CID43574515
Molecular FormulaC12H19N3O5S
Molecular Weight317.37 g/mol
Exact Mass317.10
IUPAC Name5-[2-(hydroxymethyl)piperidin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1cc(S(=O)(=O)N2CCCCC2CO)c(=O)n(C)c1=O
InChIInChI=1S/C12H19N3O5S/c1-13-7-10(11(17)14(2)12(13)18)21(19,20)15-6-4-3-5-9(15)8-16/h7,9,16H,3-6,8H2,1-2H3
InChIKeyVWEHDOCQTGPUIZ-UHFFFAOYSA-N
XLogP-1.38
TPSA101.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 5-1.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione
CID 79031036
5-[2-(1,3-benzothiazol-2-yl)piperidin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione
CID 24511540
[1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 61408875
[1-[2-(aminomethyl)phenyl]sulfonylpiperidin-2-yl]methanol
CID 43579020
[1-[4-(aminomethyl)-2-methylphenyl]sulfonylpiperidin-2-yl]methanol
CID 106996722
[1-[2-(propylamino)phenyl]sulfonylpiperidin-2-yl]methanol
CID 62151316
[1-(4-bromophenyl)sulfonylpiperidin-2-yl]methanol
CID 43574420
2-[2-(hydroxymethyl)piperidin-1-yl]sulfonylbenzenecarbothioamide
CID 61407406
5-(3-aminoazetidin-1-yl)sulfonyl-1,3-dimethylpyrimidine-2,4-dione
CID 63765075
[1-(4-bromophenyl)sulfonylazepan-2-yl]methanol
CID 116636618
[1-(2,6-dichlorophenyl)sulfonylazepan-2-yl]methanol
CID 116636713
methyl 3-[2-(hydroxymethyl)piperidin-1-yl]sulfonylthiophene-2-carboxylate
CID 43574438

Frequently Asked Questions

What is the IUPAC name of 5-[2-(hydroxymethyl)piperidin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-[2-(hydroxymethyl)piperidin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione (CID 43574515) is 5-[2-(hydroxymethyl)piperidin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[2-(hydroxymethyl)piperidin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-[2-(hydroxymethyl)piperidin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione is Cn1cc(S(=O)(=O)N2CCCCC2CO)c(=O)n(C)c1=O.
What is the InChIKey of 5-[2-(hydroxymethyl)piperidin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is VWEHDOCQTGPUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O5S/c1-13-7-10(11(17)14(2)12(13)18)21(19,20)15-6-4-3-5-9(15)8-16/h7,9,16H,3-6,8H2,1-2H3.
What are the key properties of 5-[2-(hydroxymethyl)piperidin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione?
5-[2-(hydroxymethyl)piperidin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 317.37 g/mol, XLogP of -1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(hydroxymethyl)piperidin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 43574515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).