1,3-dimethyl-2,4-dioxo-N-(thiophen-2-ylmethyl)pyrimidine-5-sulfonamide

C11H13N3O4S2 — CID 5310176

IUPAC1,3-dimethyl-2,4-dioxo-N-(thiophen-2-ylmethyl)pyrimidine-5-sulfonamide
SMILESCn1cc(S(=O)(=O)NCc2cccs2)c(=O)n(C)c1=O
InChIInChI=1S/C11H13N3O4S2/c1-13-7-9(10(15)14(2)11(13)16)20(17,18)12-6-8-4-3-5-19-8/h3-5,7,12H,6H2,1-2H3
InChIKeyMHRSMAGOQPQTCC-UHFFFAOYSA-N
MW315.38 g/mol
LogP-0.38
Rot. Bonds4

About 1,3-dimethyl-2,4-dioxo-N-(thiophen-2-ylmethyl)pyrimidine-5-sulfonamide

1,3-dimethyl-2,4-dioxo-N-(thiophen-2-ylmethyl)pyrimidine-5-sulfonamide (PubChem CID 5310176) has the molecular formula C11H13N3O4S2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 1,3-dimethyl-2,4-dioxo-N-(thiophen-2-ylmethyl)pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name1,3-dimethyl-2,4-dioxo-N-(thiophen-2-ylmethyl)pyrimidine-5-sulfonamide
PubChem CID5310176
Molecular FormulaC11H13N3O4S2
Molecular Weight315.38 g/mol
Exact Mass315.03
IUPAC Name1,3-dimethyl-2,4-dioxo-N-(thiophen-2-ylmethyl)pyrimidine-5-sulfonamide
SMILESCn1cc(S(=O)(=O)NCc2cccs2)c(=O)n(C)c1=O
InChIInChI=1S/C11H13N3O4S2/c1-13-7-9(10(15)14(2)11(13)16)20(17,18)12-6-8-4-3-5-19-8/h3-5,7,12H,6H2,1-2H3
InChIKeyMHRSMAGOQPQTCC-UHFFFAOYSA-N
XLogP-0.38
TPSA90.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2,4-dioxo-N-(thiophen-2-ylmethyl)pyrimidine-5-sulfonamide?
The IUPAC name of 1,3-dimethyl-2,4-dioxo-N-(thiophen-2-ylmethyl)pyrimidine-5-sulfonamide (CID 5310176) is 1,3-dimethyl-2,4-dioxo-N-(thiophen-2-ylmethyl)pyrimidine-5-sulfonamide.
What is the SMILES notation for 1,3-dimethyl-2,4-dioxo-N-(thiophen-2-ylmethyl)pyrimidine-5-sulfonamide?
The canonical SMILES for 1,3-dimethyl-2,4-dioxo-N-(thiophen-2-ylmethyl)pyrimidine-5-sulfonamide is Cn1cc(S(=O)(=O)NCc2cccs2)c(=O)n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-2,4-dioxo-N-(thiophen-2-ylmethyl)pyrimidine-5-sulfonamide?
The InChIKey is MHRSMAGOQPQTCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O4S2/c1-13-7-9(10(15)14(2)11(13)16)20(17,18)12-6-8-4-3-5-19-8/h3-5,7,12H,6H2,1-2H3.
What are the key properties of 1,3-dimethyl-2,4-dioxo-N-(thiophen-2-ylmethyl)pyrimidine-5-sulfonamide?
1,3-dimethyl-2,4-dioxo-N-(thiophen-2-ylmethyl)pyrimidine-5-sulfonamide has a molecular weight of 315.38 g/mol, XLogP of -0.38, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2,4-dioxo-N-(thiophen-2-ylmethyl)pyrimidine-5-sulfonamide is sourced from PubChem (CID 5310176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).