1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylpiperidine-4-carboxamide

C12H18N4O5S — CID 7196421

IUPAC1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylpiperidine-4-carboxamide
SMILESCn1cc(S(=O)(=O)N2CCC(C(N)=O)CC2)c(=O)n(C)c1=O
InChIInChI=1S/C12H18N4O5S/c1-14-7-9(11(18)15(2)12(14)19)22(20,21)16-5-3-8(4-6-16)10(13)17/h7-8H,3-6H2,1-2H3,(H2,13,17)
InChIKeyXINGKLHNNVOBIS-UHFFFAOYSA-N
MW330.37 g/mol
LogP-2.03
Rot. Bonds3

About 1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylpiperidine-4-carboxamide

1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylpiperidine-4-carboxamide (PubChem CID 7196421) has the molecular formula C12H18N4O5S and a molecular weight of 330.37 g/mol. Its IUPAC name is 1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylpiperidine-4-carboxamide
PubChem CID7196421
Molecular FormulaC12H18N4O5S
Molecular Weight330.37 g/mol
Exact Mass330.10
IUPAC Name1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylpiperidine-4-carboxamide
SMILESCn1cc(S(=O)(=O)N2CCC(C(N)=O)CC2)c(=O)n(C)c1=O
InChIInChI=1S/C12H18N4O5S/c1-14-7-9(11(18)15(2)12(14)19)22(20,21)16-5-3-8(4-6-16)10(13)17/h7-8H,3-6H2,1-2H3,(H2,13,17)
InChIKeyXINGKLHNNVOBIS-UHFFFAOYSA-N
XLogP-2.03
TPSA124.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 5-2.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of 1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylpiperidine-4-carboxamide (CID 7196421) is 1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for 1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylpiperidine-4-carboxamide is Cn1cc(S(=O)(=O)N2CCC(C(N)=O)CC2)c(=O)n(C)c1=O.
What is the InChIKey of 1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylpiperidine-4-carboxamide?
The InChIKey is XINGKLHNNVOBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O5S/c1-14-7-9(11(18)15(2)12(14)19)22(20,21)16-5-3-8(4-6-16)10(13)17/h7-8H,3-6H2,1-2H3,(H2,13,17).
What are the key properties of 1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylpiperidine-4-carboxamide?
1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylpiperidine-4-carboxamide has a molecular weight of 330.37 g/mol, XLogP of -2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 7196421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).