1,3-dimethyl-5-[(2R)-2-methylpiperidin-1-yl]sulfonylpyrimidine-2,4-dione

C12H19N3O4S — CID 7196331

IUPAC1,3-dimethyl-5-[(2R)-2-methylpiperidin-1-yl]sulfonylpyrimidine-2,4-dione
SMILESC[C@@H]1CCCCN1S(=O)(=O)c1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C12H19N3O4S/c1-9-6-4-5-7-15(9)20(18,19)10-8-13(2)12(17)14(3)11(10)16/h8-9H,4-7H2,1-3H3/t9-/m1/s1
InChIKeyRQJOZJNVROJXOW-SECBINFHSA-N
MW301.37 g/mol
LogP-0.35
Rot. Bonds2

About 1,3-dimethyl-5-[(2R)-2-methylpiperidin-1-yl]sulfonylpyrimidine-2,4-dione

1,3-dimethyl-5-[(2R)-2-methylpiperidin-1-yl]sulfonylpyrimidine-2,4-dione (PubChem CID 7196331) has the molecular formula C12H19N3O4S and a molecular weight of 301.37 g/mol. Its IUPAC name is 1,3-dimethyl-5-[(2R)-2-methylpiperidin-1-yl]sulfonylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-5-[(2R)-2-methylpiperidin-1-yl]sulfonylpyrimidine-2,4-dione
PubChem CID7196331
Molecular FormulaC12H19N3O4S
Molecular Weight301.37 g/mol
Exact Mass301.11
IUPAC Name1,3-dimethyl-5-[(2R)-2-methylpiperidin-1-yl]sulfonylpyrimidine-2,4-dione
SMILESC[C@@H]1CCCCN1S(=O)(=O)c1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C12H19N3O4S/c1-9-6-4-5-7-15(9)20(18,19)10-8-13(2)12(17)14(3)11(10)16/h8-9H,4-7H2,1-3H3/t9-/m1/s1
InChIKeyRQJOZJNVROJXOW-SECBINFHSA-N
XLogP-0.35
TPSA81.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 5-0.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclohexyl-N,1,3-trimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamide
CID 16277328
1,3-dimethyl-5-((4-methylpiperidin-1-yl)sulfonyl)pyrimidine-2,4(1H,3H)-dione
CID 7196403
1,3,6-Trimethyl-5-piperidin-1-ylsulfonylpyrimidine-2,4-dione
CID 7475174
N-cyclohexyl-N-ethyl-1,3,6-trimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamide
CID 7475224
5-((2-ethylpiperidin-1-yl)sulfonyl)-1,3,6-trimethylpyrimidine-2,4(1H,3H)-dione
CID 16833763
N-cyclohexyl-N-ethyl-1,3-dimethyl-2,4-dioxo-5-pyrimidinesulfonamide
CID 5310304
N-cyclohexyl-N,1,3,6-tetramethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamide
CID 16833759
1,3-dimethyl-5-((4-methyl-[1,4'-bipiperidin]-1'-yl)sulfonyl)pyrimidine-2,4(1H,3H)-dione
CID 118308418
N-cyclohexyl-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 7475135
1,3-dimethyl-5-((2-methylpiperidin-1-yl)sulfonyl)pyrimidine-2,4(1H,3H)-dione
CID 16195025
5-((2-ethylpiperidin-1-yl)sulfonyl)-1,3-dimethylpyrimidine-2,4(1H,3H)-dione
CID 18561541
1,3-dimethyl-5-((4-methylpiperazin-1-yl)sulfonyl)pyrimidine-2,4(1H,3H)-dione
CID 7196329

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[(2R)-2-methylpiperidin-1-yl]sulfonylpyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-5-[(2R)-2-methylpiperidin-1-yl]sulfonylpyrimidine-2,4-dione (CID 7196331) is 1,3-dimethyl-5-[(2R)-2-methylpiperidin-1-yl]sulfonylpyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-5-[(2R)-2-methylpiperidin-1-yl]sulfonylpyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-5-[(2R)-2-methylpiperidin-1-yl]sulfonylpyrimidine-2,4-dione is C[C@@H]1CCCCN1S(=O)(=O)c1cn(C)c(=O)n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-5-[(2R)-2-methylpiperidin-1-yl]sulfonylpyrimidine-2,4-dione?
The InChIKey is RQJOZJNVROJXOW-SECBINFHSA-N. The full InChI is InChI=1S/C12H19N3O4S/c1-9-6-4-5-7-15(9)20(18,19)10-8-13(2)12(17)14(3)11(10)16/h8-9H,4-7H2,1-3H3/t9-/m1/s1.
What are the key properties of 1,3-dimethyl-5-[(2R)-2-methylpiperidin-1-yl]sulfonylpyrimidine-2,4-dione?
1,3-dimethyl-5-[(2R)-2-methylpiperidin-1-yl]sulfonylpyrimidine-2,4-dione has a molecular weight of 301.37 g/mol, XLogP of -0.35, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[(2R)-2-methylpiperidin-1-yl]sulfonylpyrimidine-2,4-dione is sourced from PubChem (CID 7196331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).