N-methyl-N-(1-methylpiperidin-4-yl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide

C11H18N4O4S — CID 21008150

IUPACN-methyl-N-(1-methylpiperidin-4-yl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide
SMILESCN1CCC(N(C)S(=O)(=O)c2c[nH]c(=O)[nH]c2=O)CC1
InChIInChI=1S/C11H18N4O4S/c1-14-5-3-8(4-6-14)15(2)20(18,19)9-7-12-11(17)13-10(9)16/h7-8H,3-6H2,1-2H3,(H2,12,13,16,17)
InChIKeyCHUNCLWLRJWCDW-UHFFFAOYSA-N
MW302.36 g/mol
LogP-1.22
Rot. Bonds3

About N-methyl-N-(1-methylpiperidin-4-yl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide

N-methyl-N-(1-methylpiperidin-4-yl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide (PubChem CID 21008150) has the molecular formula C11H18N4O4S and a molecular weight of 302.36 g/mol. Its IUPAC name is N-methyl-N-(1-methylpiperidin-4-yl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-(1-methylpiperidin-4-yl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide
PubChem CID21008150
Molecular FormulaC11H18N4O4S
Molecular Weight302.36 g/mol
Exact Mass302.10
IUPAC NameN-methyl-N-(1-methylpiperidin-4-yl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide
SMILESCN1CCC(N(C)S(=O)(=O)c2c[nH]c(=O)[nH]c2=O)CC1
InChIInChI=1S/C11H18N4O4S/c1-14-5-3-8(4-6-14)15(2)20(18,19)9-7-12-11(17)13-10(9)16/h7-8H,3-6H2,1-2H3,(H2,12,13,16,17)
InChIKeyCHUNCLWLRJWCDW-UHFFFAOYSA-N
XLogP-1.22
TPSA106.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 5-1.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamide
CID 7196320
2-hydroxy-5-[(4-methylpiperidin-1-yl)sulfonyl]pyrimidin-4(3H)-one
CID 7253858
N-cyclohexyl-N,1,3-trimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamide
CID 16277328
N-cyclohexyl-N-ethyl-1,3-dimethyl-2,4-dioxo-5-pyrimidinesulfonamide
CID 5310304
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-2,4-dioxo-N-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]pyrimidine-5-sulfonamide
CID 154755015
6-Amino-1,3-dimethyl-5-piperidin-1-ylsulfonylpyrimidine-2,4-dione
CID 7197645
Ethyl 4-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamido)piperidine-1-carboxylate
CID 26529969
2-hydroxy-5-(piperidin-1-ylsulfonyl)pyrimidin-4(3H)-one
CID 43980556

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-methylpiperidin-4-yl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The IUPAC name of N-methyl-N-(1-methylpiperidin-4-yl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide (CID 21008150) is N-methyl-N-(1-methylpiperidin-4-yl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide.
What is the SMILES notation for N-methyl-N-(1-methylpiperidin-4-yl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The canonical SMILES for N-methyl-N-(1-methylpiperidin-4-yl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide is CN1CCC(N(C)S(=O)(=O)c2c[nH]c(=O)[nH]c2=O)CC1.
What is the InChIKey of N-methyl-N-(1-methylpiperidin-4-yl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The InChIKey is CHUNCLWLRJWCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O4S/c1-14-5-3-8(4-6-14)15(2)20(18,19)9-7-12-11(17)13-10(9)16/h7-8H,3-6H2,1-2H3,(H2,12,13,16,17).
What are the key properties of N-methyl-N-(1-methylpiperidin-4-yl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
N-methyl-N-(1-methylpiperidin-4-yl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide has a molecular weight of 302.36 g/mol, XLogP of -1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-methylpiperidin-4-yl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide is sourced from PubChem (CID 21008150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).