methyl 5-[[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]sulfonyl]thiophene-2-carboxylate

C14H16N2O4S2 — CID 95299833

IUPACmethyl 5-[[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]sulfonyl]thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(S(=O)(=O)N2CCn3cccc3[C@@H]2C)s1
InChIInChI=1S/C14H16N2O4S2/c1-10-11-4-3-7-15(11)8-9-16(10)22(18,19)13-6-5-12(21-13)14(17)20-2/h3-7,10H,8-9H2,1-2H3/t10-/m0/s1
InChIKeyCJVIDMHVQBPBFQ-JTQLQIEISA-N
MW340.43 g/mol
LogP2.10
Rot. Bonds3

About methyl 5-[[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]sulfonyl]thiophene-2-carboxylate

methyl 5-[[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]sulfonyl]thiophene-2-carboxylate (PubChem CID 95299833) has the molecular formula C14H16N2O4S2 and a molecular weight of 340.43 g/mol. Its IUPAC name is methyl 5-[[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]sulfonyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]sulfonyl]thiophene-2-carboxylate
PubChem CID95299833
Molecular FormulaC14H16N2O4S2
Molecular Weight340.43 g/mol
Exact Mass340.06
IUPAC Namemethyl 5-[[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]sulfonyl]thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(S(=O)(=O)N2CCn3cccc3[C@@H]2C)s1
InChIInChI=1S/C14H16N2O4S2/c1-10-11-4-3-7-15(11)8-9-16(10)22(18,19)13-6-5-12(21-13)14(17)20-2/h3-7,10H,8-9H2,1-2H3/t10-/m0/s1
InChIKeyCJVIDMHVQBPBFQ-JTQLQIEISA-N
XLogP2.10
TPSA68.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 5-[[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]sulfonyl]thiophene-2-carboxylate with MolForge

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Related Compounds

N-methyl-4-[[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]sulfonyl]benzamide
CID 92520260
methyl 5-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonylthiophene-2-carboxylate
CID 167188486
(1S)-2-(2,5-dimethoxyphenyl)sulfonyl-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 7999096
(1S)-2-(2-methoxy-5-methylphenyl)sulfonyl-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 8796372
5-(2-methyl-3-oxopiperazin-1-yl)sulfonylthiophene-2-carboxylic acid
CID 63607534
5-[2-(methylcarbamoyl)pyrrolidin-1-yl]sulfonylthiophene-2-carboxylic acid
CID 61028177
methyl 5-(4-amino-3,3-dimethylpiperidin-1-yl)sulfonylthiophene-2-carboxylate;hydrochloride
CID 120779175
2-(5-fluoro-2-methylphenyl)sulfonyl-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 55689553
1-methyl-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 132762083
(1R)-2-(2,5-dichloro-3,6-dimethylphenyl)sulfonyl-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 29346767
1-[4-[[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]sulfonyl]phenyl]pyrrolidin-2-one
CID 41142720
5-[4-(methylcarbamoyl)piperidin-1-yl]sulfonylthiophene-2-carboxylic acid
CID 61027124

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]sulfonyl]thiophene-2-carboxylate?
The IUPAC name of methyl 5-[[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]sulfonyl]thiophene-2-carboxylate (CID 95299833) is methyl 5-[[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]sulfonyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 5-[[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]sulfonyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 5-[[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]sulfonyl]thiophene-2-carboxylate is COC(=O)c1ccc(S(=O)(=O)N2CCn3cccc3[C@@H]2C)s1.
What is the InChIKey of methyl 5-[[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]sulfonyl]thiophene-2-carboxylate?
The InChIKey is CJVIDMHVQBPBFQ-JTQLQIEISA-N. The full InChI is InChI=1S/C14H16N2O4S2/c1-10-11-4-3-7-15(11)8-9-16(10)22(18,19)13-6-5-12(21-13)14(17)20-2/h3-7,10H,8-9H2,1-2H3/t10-/m0/s1.
What are the key properties of methyl 5-[[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]sulfonyl]thiophene-2-carboxylate?
methyl 5-[[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]sulfonyl]thiophene-2-carboxylate has a molecular weight of 340.43 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]sulfonyl]thiophene-2-carboxylate is sourced from PubChem (CID 95299833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).