[1-(4-cyclopropyl-6-methylsulfanyl-1,3,5-triazin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide

C12H17N5O3S2 — CID 168681301

IUPAC[1-(4-cyclopropyl-6-methylsulfanyl-1,3,5-triazin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESCSc1nc(C2CC2)nc(N2CC(CS(N)(=O)=O)CC2=O)n1
InChIInChI=1S/C12H17N5O3S2/c1-21-12-15-10(8-2-3-8)14-11(16-12)17-5-7(4-9(17)18)6-22(13,19)20/h7-8H,2-6H2,1H3,(H2,13,19,20)
InChIKeyDCXIWRJJCMFSNS-UHFFFAOYSA-N
MW343.43 g/mol
LogP0.11
Rot. Bonds5

About [1-(4-cyclopropyl-6-methylsulfanyl-1,3,5-triazin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide

[1-(4-cyclopropyl-6-methylsulfanyl-1,3,5-triazin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide (PubChem CID 168681301) has the molecular formula C12H17N5O3S2 and a molecular weight of 343.43 g/mol. Its IUPAC name is [1-(4-cyclopropyl-6-methylsulfanyl-1,3,5-triazin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-(4-cyclopropyl-6-methylsulfanyl-1,3,5-triazin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
PubChem CID168681301
Molecular FormulaC12H17N5O3S2
Molecular Weight343.43 g/mol
Exact Mass343.08
IUPAC Name[1-(4-cyclopropyl-6-methylsulfanyl-1,3,5-triazin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESCSc1nc(C2CC2)nc(N2CC(CS(N)(=O)=O)CC2=O)n1
InChIInChI=1S/C12H17N5O3S2/c1-21-12-15-10(8-2-3-8)14-11(16-12)17-5-7(4-9(17)18)6-22(13,19)20/h7-8H,2-6H2,1H3,(H2,13,19,20)
InChIKeyDCXIWRJJCMFSNS-UHFFFAOYSA-N
XLogP0.11
TPSA119.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [1-(4-cyclopropyl-6-methylsulfanyl-1,3,5-triazin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide with MolForge

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Related Compounds

[1-(4-amino-6-methylpyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681741
[1-(4,6-diamino-1,3,5-triazin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168683300
[1-(5-amino-1-methyl-1,2,4-triazol-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681788
[1-(4,6-dichloro-5-formylpyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168683290
[1-(5-methylpyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681706
[1-(6-bromo-4-methyl-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681589
[1-(4-aminoquinazolin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168683303
[1-(2-cyclopropylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682896
[1-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680883
[1-(2,6-dichloro-4-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168683033
[1-(2-methylcyclohexyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680112
[1-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681795

Frequently Asked Questions

What is the IUPAC name of [1-(4-cyclopropyl-6-methylsulfanyl-1,3,5-triazin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of [1-(4-cyclopropyl-6-methylsulfanyl-1,3,5-triazin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide (CID 168681301) is [1-(4-cyclopropyl-6-methylsulfanyl-1,3,5-triazin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for [1-(4-cyclopropyl-6-methylsulfanyl-1,3,5-triazin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for [1-(4-cyclopropyl-6-methylsulfanyl-1,3,5-triazin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide is CSc1nc(C2CC2)nc(N2CC(CS(N)(=O)=O)CC2=O)n1.
What is the InChIKey of [1-(4-cyclopropyl-6-methylsulfanyl-1,3,5-triazin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The InChIKey is DCXIWRJJCMFSNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O3S2/c1-21-12-15-10(8-2-3-8)14-11(16-12)17-5-7(4-9(17)18)6-22(13,19)20/h7-8H,2-6H2,1H3,(H2,13,19,20).
What are the key properties of [1-(4-cyclopropyl-6-methylsulfanyl-1,3,5-triazin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
[1-(4-cyclopropyl-6-methylsulfanyl-1,3,5-triazin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide has a molecular weight of 343.43 g/mol, XLogP of 0.11, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-cyclopropyl-6-methylsulfanyl-1,3,5-triazin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 168681301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).