methyl 3-amino-4-methoxy-5-(3-propan-2-ylpyrrolidin-1-yl)thiophene-2-carboxylate

C14H22N2O3S — CID 103506297

IUPACmethyl 3-amino-4-methoxy-5-(3-propan-2-ylpyrrolidin-1-yl)thiophene-2-carboxylate
SMILESCOC(=O)c1sc(N2CCC(C(C)C)C2)c(OC)c1N
InChIInChI=1S/C14H22N2O3S/c1-8(2)9-5-6-16(7-9)13-11(18-3)10(15)12(20-13)14(17)19-4/h8-9H,5-7,15H2,1-4H3
InChIKeyQKIXBPCTYFUPEF-UHFFFAOYSA-N
MW298.41 g/mol
LogP2.61
Rot. Bonds4

About methyl 3-amino-4-methoxy-5-(3-propan-2-ylpyrrolidin-1-yl)thiophene-2-carboxylate

methyl 3-amino-4-methoxy-5-(3-propan-2-ylpyrrolidin-1-yl)thiophene-2-carboxylate (PubChem CID 103506297) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is methyl 3-amino-4-methoxy-5-(3-propan-2-ylpyrrolidin-1-yl)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-4-methoxy-5-(3-propan-2-ylpyrrolidin-1-yl)thiophene-2-carboxylate
PubChem CID103506297
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Namemethyl 3-amino-4-methoxy-5-(3-propan-2-ylpyrrolidin-1-yl)thiophene-2-carboxylate
SMILESCOC(=O)c1sc(N2CCC(C(C)C)C2)c(OC)c1N
InChIInChI=1S/C14H22N2O3S/c1-8(2)9-5-6-16(7-9)13-11(18-3)10(15)12(20-13)14(17)19-4/h8-9H,5-7,15H2,1-4H3
InChIKeyQKIXBPCTYFUPEF-UHFFFAOYSA-N
XLogP2.61
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-amino-5-[4-(1-hydroxyethyl)piperidin-1-yl]-4-methoxythiophene-2-carboxylate
CID 106840044
methyl 3-amino-5-(3-ethylpyrrolidin-1-yl)-4-methoxythiophene-2-carboxylate
CID 103506141
ethyl 3-amino-4-methoxy-5-[3-(methoxymethyl)pyrrolidin-1-yl]thiophene-2-carboxylate
CID 103422661
methyl 3-amino-5-(2-ethylthiomorpholin-4-yl)-4-methoxythiophene-2-carboxylate
CID 103506526
3-amino-4-cyano-5-(3-propan-2-ylpyrrolidin-1-yl)thiophene-2-carboxamide
CID 103506254
ethyl 3-amino-4-methylsulfanyl-5-(3-propan-2-ylpyrrolidin-1-yl)thiophene-2-carboxylate
CID 103506287
3-amino-5-(3-propan-2-ylpyrrolidin-1-yl)thiophene-2,4-dicarboxamide
CID 103506307
3-amino-5-(3-aminopyrrolidin-1-yl)-4-methoxythiophene-2-carboxamide
CID 103525772
methyl 3-amino-5-(3-propan-2-ylpyrrolidin-1-yl)-1,2-thiazole-4-carboxylate
CID 103384135
3-amino-N-ethyl-5-(3-ethylpyrrolidin-1-yl)-4-methoxythiophene-2-carboxamide
CID 103506114
5-acetyl-4-amino-N-methyl-2-(3-propan-2-ylpyrrolidin-1-yl)thiophene-3-carboxamide
CID 103506286
ethyl 3-amino-4-methoxy-5-(4-methylazepan-1-yl)thiophene-2-carboxylate
CID 103422055

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-4-methoxy-5-(3-propan-2-ylpyrrolidin-1-yl)thiophene-2-carboxylate?
The IUPAC name of methyl 3-amino-4-methoxy-5-(3-propan-2-ylpyrrolidin-1-yl)thiophene-2-carboxylate (CID 103506297) is methyl 3-amino-4-methoxy-5-(3-propan-2-ylpyrrolidin-1-yl)thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-amino-4-methoxy-5-(3-propan-2-ylpyrrolidin-1-yl)thiophene-2-carboxylate?
The canonical SMILES for methyl 3-amino-4-methoxy-5-(3-propan-2-ylpyrrolidin-1-yl)thiophene-2-carboxylate is COC(=O)c1sc(N2CCC(C(C)C)C2)c(OC)c1N.
What is the InChIKey of methyl 3-amino-4-methoxy-5-(3-propan-2-ylpyrrolidin-1-yl)thiophene-2-carboxylate?
The InChIKey is QKIXBPCTYFUPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-8(2)9-5-6-16(7-9)13-11(18-3)10(15)12(20-13)14(17)19-4/h8-9H,5-7,15H2,1-4H3.
What are the key properties of methyl 3-amino-4-methoxy-5-(3-propan-2-ylpyrrolidin-1-yl)thiophene-2-carboxylate?
methyl 3-amino-4-methoxy-5-(3-propan-2-ylpyrrolidin-1-yl)thiophene-2-carboxylate has a molecular weight of 298.41 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-4-methoxy-5-(3-propan-2-ylpyrrolidin-1-yl)thiophene-2-carboxylate is sourced from PubChem (CID 103506297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).