ethyl (3R)-1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylpiperidine-3-carboxylate

C14H21N3O6S — CID 7196384

IUPACethyl (3R)-1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylpiperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C1
InChIInChI=1S/C14H21N3O6S/c1-4-23-13(19)10-6-5-7-17(8-10)24(21,22)11-9-15(2)14(20)16(3)12(11)18/h9-10H,4-8H2,1-3H3/t10-/m1/s1
InChIKeyARRPJAJPSFQPIP-SNVBAGLBSA-N
MW359.40 g/mol
LogP-0.95
Rot. Bonds4

About ethyl (3R)-1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylpiperidine-3-carboxylate

ethyl (3R)-1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylpiperidine-3-carboxylate (PubChem CID 7196384) has the molecular formula C14H21N3O6S and a molecular weight of 359.40 g/mol. Its IUPAC name is ethyl (3R)-1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylpiperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3R)-1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylpiperidine-3-carboxylate
PubChem CID7196384
Molecular FormulaC14H21N3O6S
Molecular Weight359.40 g/mol
Exact Mass359.12
IUPAC Nameethyl (3R)-1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylpiperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C1
InChIInChI=1S/C14H21N3O6S/c1-4-23-13(19)10-6-5-7-17(8-10)24(21,22)11-9-15(2)14(20)16(3)12(11)18/h9-10H,4-8H2,1-3H3/t10-/m1/s1
InChIKeyARRPJAJPSFQPIP-SNVBAGLBSA-N
XLogP-0.95
TPSA107.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 5-0.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 1-(2-hydroxyphenyl)sulfonylpiperidine-3-carboxylate
CID 81239319
ethyl (3S)-1-(2-methylphenyl)sulfonylpiperidine-3-carboxylate
CID 81307471
ethyl (3S)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxylate
CID 884371
ethyl (3R)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxylate
CID 884372
ethyl (3S)-1-[4-[4-[(3S)-3-ethoxycarbonylpiperidin-1-yl]sulfonylphenyl]phenyl]sulfonylpiperidine-3-carboxylate
CID 98207041
1,3-dimethyl-5-[(3R)-3-methylpiperidin-1-yl]sulfonylpyrimidine-2,4-dione
CID 7196398
ethyl (3R)-1-(5-bromo-2-methylphenyl)sulfonylpiperidine-3-carboxylate
CID 8777841
ethyl (3R)-1-(2,5-dichlorophenyl)sulfonylpiperidine-3-carboxylate
CID 1273285
ethyl (3R)-1-(2,5-dibromophenyl)sulfonylpiperidine-3-carboxylate
CID 26948371
ethyl 1-(5-tert-butyl-2-methylphenyl)sulfonylpiperidine-3-carboxylate
CID 3905235
ethyl (3R)-1-(4-sulfamoylphenyl)sulfonylpiperidine-3-carboxylate
CID 2198274
ethyl 1-[(2-amino-3-pyridinyl)sulfonyl]piperidine-3-carboxylate
CID 65427988

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylpiperidine-3-carboxylate?
The IUPAC name of ethyl (3R)-1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylpiperidine-3-carboxylate (CID 7196384) is ethyl (3R)-1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylpiperidine-3-carboxylate.
What is the SMILES notation for ethyl (3R)-1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylpiperidine-3-carboxylate?
The canonical SMILES for ethyl (3R)-1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylpiperidine-3-carboxylate is CCOC(=O)[C@@H]1CCCN(S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C1.
What is the InChIKey of ethyl (3R)-1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylpiperidine-3-carboxylate?
The InChIKey is ARRPJAJPSFQPIP-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H21N3O6S/c1-4-23-13(19)10-6-5-7-17(8-10)24(21,22)11-9-15(2)14(20)16(3)12(11)18/h9-10H,4-8H2,1-3H3/t10-/m1/s1.
What are the key properties of ethyl (3R)-1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylpiperidine-3-carboxylate?
ethyl (3R)-1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylpiperidine-3-carboxylate has a molecular weight of 359.40 g/mol, XLogP of -0.95, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylpiperidine-3-carboxylate is sourced from PubChem (CID 7196384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).