methyl 3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfinamoyl]thiophene-2-carboxylate

C12H13N5O5S2 — CID 57231204

IUPACmethyl 3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfinamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)NC(=O)Nc1nc(C)nc(OC)n1
InChIInChI=1S/C12H13N5O5S2/c1-6-13-10(16-12(14-6)22-3)15-11(19)17-24(20)7-4-5-23-8(7)9(18)21-2/h4-5H,1-3H3,(H2,13,14,15,16,17,19)
InChIKeyHFMKUDWPGIBKPY-UHFFFAOYSA-N
MW371.40 g/mol
LogP0.88
Rot. Bonds5

About methyl 3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfinamoyl]thiophene-2-carboxylate

methyl 3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfinamoyl]thiophene-2-carboxylate (PubChem CID 57231204) has the molecular formula C12H13N5O5S2 and a molecular weight of 371.40 g/mol. Its IUPAC name is methyl 3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfinamoyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfinamoyl]thiophene-2-carboxylate
PubChem CID57231204
Molecular FormulaC12H13N5O5S2
Molecular Weight371.40 g/mol
Exact Mass371.04
IUPAC Namemethyl 3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfinamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)NC(=O)Nc1nc(C)nc(OC)n1
InChIInChI=1S/C12H13N5O5S2/c1-6-13-10(16-12(14-6)22-3)15-11(19)17-24(20)7-4-5-23-8(7)9(18)21-2/h4-5H,1-3H3,(H2,13,14,15,16,17,19)
InChIKeyHFMKUDWPGIBKPY-UHFFFAOYSA-N
XLogP0.88
TPSA132.40 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze methyl 3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfinamoyl]thiophene-2-carboxylate with MolForge

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Related Compounds

N-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)acetamide
CID 14076289
sodium 2-methoxycarbonylthiophene-3-sulfinate
CID 130862414
1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-3-sulfamoylurea
CID 13188538
methyl 4-iodo-2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]-3-methylbenzoate
CID 142673735
methyl 2-[(4,6-dimethyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-3-carboxylate
CID 13390206
sodium;hydride;3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylic acid;methyl 2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]-3H-thiophene-2-carboxylate
CID 173211427
[2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]phenyl] N,N-dimethylsulfamate
CID 13473132
1-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]pyrrole-3-carboxylic acid
CID 23185534
2-(N-ethoxy-C-propylcarbonimidoyl)-5-(2-ethylsulfanylpropyl)-3-hydroxycyclohex-2-en-1-one;methyl 3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylate
CID 136962788
4-iodo-2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoic acid
CID 18402899
CID 88679981
CID 88679981
1-(2-chloro-5-propan-2-ylphenyl)sulfonyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea
CID 139201725

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfinamoyl]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfinamoyl]thiophene-2-carboxylate (CID 57231204) is methyl 3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfinamoyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfinamoyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfinamoyl]thiophene-2-carboxylate is COC(=O)c1sccc1S(=O)NC(=O)Nc1nc(C)nc(OC)n1.
What is the InChIKey of methyl 3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfinamoyl]thiophene-2-carboxylate?
The InChIKey is HFMKUDWPGIBKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O5S2/c1-6-13-10(16-12(14-6)22-3)15-11(19)17-24(20)7-4-5-23-8(7)9(18)21-2/h4-5H,1-3H3,(H2,13,14,15,16,17,19).
What are the key properties of methyl 3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfinamoyl]thiophene-2-carboxylate?
methyl 3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfinamoyl]thiophene-2-carboxylate has a molecular weight of 371.40 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfinamoyl]thiophene-2-carboxylate is sourced from PubChem (CID 57231204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).