methyl 4-methyl-3-[(2-methylpyrrolidine-3-carbonyl)amino]thiophene-2-carboxylate

C13H18N2O3S — CID 114915617

IUPACmethyl 4-methyl-3-[(2-methylpyrrolidine-3-carbonyl)amino]thiophene-2-carboxylate
SMILESCOC(=O)c1scc(C)c1NC(=O)C1CCNC1C
InChIInChI=1S/C13H18N2O3S/c1-7-6-19-11(13(17)18-3)10(7)15-12(16)9-4-5-14-8(9)2/h6,8-9,14H,4-5H2,1-3H3,(H,15,16)
InChIKeyHIEDSPJPBQVCPH-UHFFFAOYSA-N
MW282.37 g/mol
LogP1.78
Rot. Bonds3

About methyl 4-methyl-3-[(2-methylpyrrolidine-3-carbonyl)amino]thiophene-2-carboxylate

methyl 4-methyl-3-[(2-methylpyrrolidine-3-carbonyl)amino]thiophene-2-carboxylate (PubChem CID 114915617) has the molecular formula C13H18N2O3S and a molecular weight of 282.37 g/mol. Its IUPAC name is methyl 4-methyl-3-[(2-methylpyrrolidine-3-carbonyl)amino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-3-[(2-methylpyrrolidine-3-carbonyl)amino]thiophene-2-carboxylate
PubChem CID114915617
Molecular FormulaC13H18N2O3S
Molecular Weight282.37 g/mol
Exact Mass282.10
IUPAC Namemethyl 4-methyl-3-[(2-methylpyrrolidine-3-carbonyl)amino]thiophene-2-carboxylate
SMILESCOC(=O)c1scc(C)c1NC(=O)C1CCNC1C
InChIInChI=1S/C13H18N2O3S/c1-7-6-19-11(13(17)18-3)10(7)15-12(16)9-4-5-14-8(9)2/h6,8-9,14H,4-5H2,1-3H3,(H,15,16)
InChIKeyHIEDSPJPBQVCPH-UHFFFAOYSA-N
XLogP1.78
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-methyl-3-(thiomorpholine-3-carbonylamino)thiophene-2-carboxylate
CID 114915571
methyl 3-[(2-aminocycloheptanecarbonyl)amino]-4-methylthiophene-2-carboxylate
CID 114915584
methyl 3-(cyclohexanecarbonylamino)-4-methylthiophene-2-carboxylate
CID 3811641
methyl 4-methyl-3-(piperidine-3-carbonylamino)thiophene-2-carboxylate
CID 114915597
2-methyl-N-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide
CID 79382496
methyl 4-methyl-3-[(2,4,5-trimethyloxolane-3-carbonyl)amino]thiophene-2-carboxylate
CID 114916198
methyl 4-methyl-3-(oxolane-2-carbonylamino)thiophene-2-carboxylate
CID 114916149
N-(2,6-dibromophenyl)-2-methylpyrrolidine-3-carboxamide
CID 107599756
methyl 4-methyl-3-[(2,2,2-trichloroacetyl)amino]thiophene-2-carboxylate
CID 2807911
methyl 4-methyl-3-[(2-methylpyrrolidine-2-carbonyl)amino]thiophene-2-carboxylate
CID 114915561
2-methyl-N-(4-methylphenyl)pyrrolidine-3-carboxamide
CID 79382752
N-(4-bromo-3-methylphenyl)-2-methylpyrrolidine-3-carboxamide
CID 79382988

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-3-[(2-methylpyrrolidine-3-carbonyl)amino]thiophene-2-carboxylate?
The IUPAC name of methyl 4-methyl-3-[(2-methylpyrrolidine-3-carbonyl)amino]thiophene-2-carboxylate (CID 114915617) is methyl 4-methyl-3-[(2-methylpyrrolidine-3-carbonyl)amino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 4-methyl-3-[(2-methylpyrrolidine-3-carbonyl)amino]thiophene-2-carboxylate?
The canonical SMILES for methyl 4-methyl-3-[(2-methylpyrrolidine-3-carbonyl)amino]thiophene-2-carboxylate is COC(=O)c1scc(C)c1NC(=O)C1CCNC1C.
What is the InChIKey of methyl 4-methyl-3-[(2-methylpyrrolidine-3-carbonyl)amino]thiophene-2-carboxylate?
The InChIKey is HIEDSPJPBQVCPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-7-6-19-11(13(17)18-3)10(7)15-12(16)9-4-5-14-8(9)2/h6,8-9,14H,4-5H2,1-3H3,(H,15,16).
What are the key properties of methyl 4-methyl-3-[(2-methylpyrrolidine-3-carbonyl)amino]thiophene-2-carboxylate?
methyl 4-methyl-3-[(2-methylpyrrolidine-3-carbonyl)amino]thiophene-2-carboxylate has a molecular weight of 282.37 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-3-[(2-methylpyrrolidine-3-carbonyl)amino]thiophene-2-carboxylate is sourced from PubChem (CID 114915617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).