5-(2-ethylpiperidin-1-yl)sulfonyl-1,3-dimethylpyrimidine-2,4-dione

C13H21N3O4S — CID 18561541

IUPAC5-(2-ethylpiperidin-1-yl)sulfonyl-1,3-dimethylpyrimidine-2,4-dione
SMILESCCC1CCCCN1S(=O)(=O)c1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C13H21N3O4S/c1-4-10-7-5-6-8-16(10)21(19,20)11-9-14(2)13(18)15(3)12(11)17/h9-10H,4-8H2,1-3H3
InChIKeyRNPLDGOFLWGKMG-UHFFFAOYSA-N
MW315.40 g/mol
LogP0.04
Rot. Bonds3

About 5-(2-ethylpiperidin-1-yl)sulfonyl-1,3-dimethylpyrimidine-2,4-dione

5-(2-ethylpiperidin-1-yl)sulfonyl-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 18561541) has the molecular formula C13H21N3O4S and a molecular weight of 315.40 g/mol. Its IUPAC name is 5-(2-ethylpiperidin-1-yl)sulfonyl-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(2-ethylpiperidin-1-yl)sulfonyl-1,3-dimethylpyrimidine-2,4-dione
PubChem CID18561541
Molecular FormulaC13H21N3O4S
Molecular Weight315.40 g/mol
Exact Mass315.13
IUPAC Name5-(2-ethylpiperidin-1-yl)sulfonyl-1,3-dimethylpyrimidine-2,4-dione
SMILESCCC1CCCCN1S(=O)(=O)c1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C13H21N3O4S/c1-4-10-7-5-6-8-16(10)21(19,20)11-9-14(2)13(18)15(3)12(11)17/h9-10H,4-8H2,1-3H3
InChIKeyRNPLDGOFLWGKMG-UHFFFAOYSA-N
XLogP0.04
TPSA81.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 50.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-ethylpiperidin-1-yl)sulfonyl-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-(2-ethylpiperidin-1-yl)sulfonyl-1,3-dimethylpyrimidine-2,4-dione (CID 18561541) is 5-(2-ethylpiperidin-1-yl)sulfonyl-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-(2-ethylpiperidin-1-yl)sulfonyl-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-(2-ethylpiperidin-1-yl)sulfonyl-1,3-dimethylpyrimidine-2,4-dione is CCC1CCCCN1S(=O)(=O)c1cn(C)c(=O)n(C)c1=O.
What is the InChIKey of 5-(2-ethylpiperidin-1-yl)sulfonyl-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is RNPLDGOFLWGKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4S/c1-4-10-7-5-6-8-16(10)21(19,20)11-9-14(2)13(18)15(3)12(11)17/h9-10H,4-8H2,1-3H3.
What are the key properties of 5-(2-ethylpiperidin-1-yl)sulfonyl-1,3-dimethylpyrimidine-2,4-dione?
5-(2-ethylpiperidin-1-yl)sulfonyl-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 315.40 g/mol, XLogP of 0.04, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethylpiperidin-1-yl)sulfonyl-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 18561541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).