1,3-dimethyl-N-[(3-methylpiperidin-3-yl)methyl]-2,4-dioxopyrimidine-5-sulfonamide

C13H22N4O4S — CID 120720870

IUPAC1,3-dimethyl-N-[(3-methylpiperidin-3-yl)methyl]-2,4-dioxopyrimidine-5-sulfonamide
SMILESCn1cc(S(=O)(=O)NCC2(C)CCCNC2)c(=O)n(C)c1=O
InChIInChI=1S/C13H22N4O4S/c1-13(5-4-6-14-8-13)9-15-22(20,21)10-7-16(2)12(19)17(3)11(10)18/h7,14-15H,4-6,8-9H2,1-3H3
InChIKeyGRWQDBFEDSPEBE-UHFFFAOYSA-N
MW330.41 g/mol
LogP-1.25
Rot. Bonds4

About 1,3-dimethyl-N-[(3-methylpiperidin-3-yl)methyl]-2,4-dioxopyrimidine-5-sulfonamide

1,3-dimethyl-N-[(3-methylpiperidin-3-yl)methyl]-2,4-dioxopyrimidine-5-sulfonamide (PubChem CID 120720870) has the molecular formula C13H22N4O4S and a molecular weight of 330.41 g/mol. Its IUPAC name is 1,3-dimethyl-N-[(3-methylpiperidin-3-yl)methyl]-2,4-dioxopyrimidine-5-sulfonamide.

Molecular Properties

Compound Name1,3-dimethyl-N-[(3-methylpiperidin-3-yl)methyl]-2,4-dioxopyrimidine-5-sulfonamide
PubChem CID120720870
Molecular FormulaC13H22N4O4S
Molecular Weight330.41 g/mol
Exact Mass330.14
IUPAC Name1,3-dimethyl-N-[(3-methylpiperidin-3-yl)methyl]-2,4-dioxopyrimidine-5-sulfonamide
SMILESCn1cc(S(=O)(=O)NCC2(C)CCCNC2)c(=O)n(C)c1=O
InChIInChI=1S/C13H22N4O4S/c1-13(5-4-6-14-8-13)9-15-22(20,21)10-7-16(2)12(19)17(3)11(10)18/h7,14-15H,4-6,8-9H2,1-3H3
InChIKeyGRWQDBFEDSPEBE-UHFFFAOYSA-N
XLogP-1.25
TPSA102.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 5-1.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-hydroxy-5-[(4-methylpiperidin-1-yl)sulfonyl]pyrimidin-4(3H)-one
CID 7253858
1-(1,3-Dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylpiperidine-4-carboxamide
CID 7196421
1,3-dimethyl-5-((3-methylpiperidin-1-yl)sulfonyl)pyrimidine-2,4(1H,3H)-dione
CID 17466120
2-hydroxy-5-(piperidin-1-ylsulfonyl)pyrimidin-4(3H)-one
CID 43980556
1-(4-Methylpentyl)-2,4-dioxopyrimidine-5-sulfonamide
CID 83162381
1,3-dimethyl-5-[(3R)-3-methylpiperidin-1-yl]sulfonylpyrimidine-2,4-dione
CID 7196398
1,3-dimethyl-5-[(3S)-3-methylpiperidin-1-yl]sulfonylpyrimidine-2,4-dione
CID 7196400
5-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione
CID 7475141
5-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione
CID 7475142
5-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione
CID 7475143
1-[(2,4-Dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)sulfonyl]piperidine-4-carboxamide
CID 7658259
N-(1-acetylpiperidin-4-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 16604907

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-[(3-methylpiperidin-3-yl)methyl]-2,4-dioxopyrimidine-5-sulfonamide?
The IUPAC name of 1,3-dimethyl-N-[(3-methylpiperidin-3-yl)methyl]-2,4-dioxopyrimidine-5-sulfonamide (CID 120720870) is 1,3-dimethyl-N-[(3-methylpiperidin-3-yl)methyl]-2,4-dioxopyrimidine-5-sulfonamide.
What is the SMILES notation for 1,3-dimethyl-N-[(3-methylpiperidin-3-yl)methyl]-2,4-dioxopyrimidine-5-sulfonamide?
The canonical SMILES for 1,3-dimethyl-N-[(3-methylpiperidin-3-yl)methyl]-2,4-dioxopyrimidine-5-sulfonamide is Cn1cc(S(=O)(=O)NCC2(C)CCCNC2)c(=O)n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-N-[(3-methylpiperidin-3-yl)methyl]-2,4-dioxopyrimidine-5-sulfonamide?
The InChIKey is GRWQDBFEDSPEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O4S/c1-13(5-4-6-14-8-13)9-15-22(20,21)10-7-16(2)12(19)17(3)11(10)18/h7,14-15H,4-6,8-9H2,1-3H3.
What are the key properties of 1,3-dimethyl-N-[(3-methylpiperidin-3-yl)methyl]-2,4-dioxopyrimidine-5-sulfonamide?
1,3-dimethyl-N-[(3-methylpiperidin-3-yl)methyl]-2,4-dioxopyrimidine-5-sulfonamide has a molecular weight of 330.41 g/mol, XLogP of -1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-[(3-methylpiperidin-3-yl)methyl]-2,4-dioxopyrimidine-5-sulfonamide is sourced from PubChem (CID 120720870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).