ethyl 4-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]piperidine-1-carboxylate

C14H22N4O6S — CID 26529969

IUPACethyl 4-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CC1
InChIInChI=1S/C14H22N4O6S/c1-4-24-14(21)18-7-5-10(6-8-18)15-25(22,23)11-9-16(2)13(20)17(3)12(11)19/h9-10,15H,4-8H2,1-3H3
InChIKeyWNBQVCLUADGUQQ-UHFFFAOYSA-N
MW374.42 g/mol
LogP-1.02
Rot. Bonds4

About ethyl 4-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]piperidine-1-carboxylate

ethyl 4-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]piperidine-1-carboxylate (PubChem CID 26529969) has the molecular formula C14H22N4O6S and a molecular weight of 374.42 g/mol. Its IUPAC name is ethyl 4-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]piperidine-1-carboxylate
PubChem CID26529969
Molecular FormulaC14H22N4O6S
Molecular Weight374.42 g/mol
Exact Mass374.13
IUPAC Nameethyl 4-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CC1
InChIInChI=1S/C14H22N4O6S/c1-4-24-14(21)18-7-5-10(6-8-18)15-25(22,23)11-9-16(2)13(20)17(3)12(11)19/h9-10,15H,4-8H2,1-3H3
InChIKeyWNBQVCLUADGUQQ-UHFFFAOYSA-N
XLogP-1.02
TPSA119.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 5-1.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]piperidine-1-carboxylate (CID 26529969) is ethyl 4-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CC1.
What is the InChIKey of ethyl 4-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]piperidine-1-carboxylate?
The InChIKey is WNBQVCLUADGUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O6S/c1-4-24-14(21)18-7-5-10(6-8-18)15-25(22,23)11-9-16(2)13(20)17(3)12(11)19/h9-10,15H,4-8H2,1-3H3.
What are the key properties of ethyl 4-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]piperidine-1-carboxylate?
ethyl 4-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]piperidine-1-carboxylate has a molecular weight of 374.42 g/mol, XLogP of -1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]piperidine-1-carboxylate is sourced from PubChem (CID 26529969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).