1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-5-oxopyrrolidine-3-sulfonamide

C9H13N5O5S — CID 168717516

IUPAC1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-5-oxopyrrolidine-3-sulfonamide
SMILESCOc1nc(OC)nc(N2CC(S(N)(=O)=O)CC2=O)n1
InChIInChI=1S/C9H13N5O5S/c1-18-8-11-7(12-9(13-8)19-2)14-4-5(3-6(14)15)20(10,16)17/h5H,3-4H2,1-2H3,(H2,10,16,17)
InChIKeyYBTKIKIGTMOVJY-UHFFFAOYSA-N
MW303.30 g/mol
LogP-1.72
Rot. Bonds4

About 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-5-oxopyrrolidine-3-sulfonamide

1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-5-oxopyrrolidine-3-sulfonamide (PubChem CID 168717516) has the molecular formula C9H13N5O5S and a molecular weight of 303.30 g/mol. Its IUPAC name is 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-5-oxopyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-5-oxopyrrolidine-3-sulfonamide
PubChem CID168717516
Molecular FormulaC9H13N5O5S
Molecular Weight303.30 g/mol
Exact Mass303.06
IUPAC Name1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-5-oxopyrrolidine-3-sulfonamide
SMILESCOc1nc(OC)nc(N2CC(S(N)(=O)=O)CC2=O)n1
InChIInChI=1S/C9H13N5O5S/c1-18-8-11-7(12-9(13-8)19-2)14-4-5(3-6(14)15)20(10,16)17/h5H,3-4H2,1-2H3,(H2,10,16,17)
InChIKeyYBTKIKIGTMOVJY-UHFFFAOYSA-N
XLogP-1.72
TPSA137.60 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.30
LogP ≤ 5-1.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-(4,6-dichloropyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168719537
5-oxo-1-(1,3,5-triazin-2-yl)pyrrolidine-3-sulfonamide
CID 168719634
1-(5-chloro-3-methoxypyrazin-2-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168717468
1-(4-methoxy-3-pyridinyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717451
1-(4,5-dimethoxy-2-methylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717594
5-oxo-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrrolidine-3-sulfonamide
CID 168719652
1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717427
1-(5-chloro-2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717358
1-(6-methoxy-1H-benzimidazol-2-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168717405
1-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168719556
1-(4-fluoro-2-methoxyphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717376
1-(4-chloro-3-methoxyphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717379

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-5-oxopyrrolidine-3-sulfonamide?
The IUPAC name of 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-5-oxopyrrolidine-3-sulfonamide (CID 168717516) is 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-5-oxopyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-5-oxopyrrolidine-3-sulfonamide?
The canonical SMILES for 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-5-oxopyrrolidine-3-sulfonamide is COc1nc(OC)nc(N2CC(S(N)(=O)=O)CC2=O)n1.
What is the InChIKey of 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-5-oxopyrrolidine-3-sulfonamide?
The InChIKey is YBTKIKIGTMOVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O5S/c1-18-8-11-7(12-9(13-8)19-2)14-4-5(3-6(14)15)20(10,16)17/h5H,3-4H2,1-2H3,(H2,10,16,17).
What are the key properties of 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-5-oxopyrrolidine-3-sulfonamide?
1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-5-oxopyrrolidine-3-sulfonamide has a molecular weight of 303.30 g/mol, XLogP of -1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-5-oxopyrrolidine-3-sulfonamide is sourced from PubChem (CID 168717516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).