methyl 3-amino-5-ethylsulfanyl-4-methoxythiophene-2-carboxylate

C9H13NO3S2 — CID 103417502

IUPACmethyl 3-amino-5-ethylsulfanyl-4-methoxythiophene-2-carboxylate
SMILESCCSc1sc(C(=O)OC)c(N)c1OC
InChIInChI=1S/C9H13NO3S2/c1-4-14-9-6(12-2)5(10)7(15-9)8(11)13-3/h4,10H2,1-3H3
InChIKeyTVSGWFFXVCUFFS-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.24
Rot. Bonds4

About methyl 3-amino-5-ethylsulfanyl-4-methoxythiophene-2-carboxylate

methyl 3-amino-5-ethylsulfanyl-4-methoxythiophene-2-carboxylate (PubChem CID 103417502) has the molecular formula C9H13NO3S2 and a molecular weight of 247.34 g/mol. Its IUPAC name is methyl 3-amino-5-ethylsulfanyl-4-methoxythiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-5-ethylsulfanyl-4-methoxythiophene-2-carboxylate
PubChem CID103417502
Molecular FormulaC9H13NO3S2
Molecular Weight247.34 g/mol
Exact Mass247.03
IUPAC Namemethyl 3-amino-5-ethylsulfanyl-4-methoxythiophene-2-carboxylate
SMILESCCSc1sc(C(=O)OC)c(N)c1OC
InChIInChI=1S/C9H13NO3S2/c1-4-14-9-6(12-2)5(10)7(15-9)8(11)13-3/h4,10H2,1-3H3
InChIKeyTVSGWFFXVCUFFS-UHFFFAOYSA-N
XLogP2.24
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-amino-5-ethylsulfanyl-4-methoxythiophene-2-carboxylate
CID 103417399
(3-amino-5-ethylsulfanyl-4-methoxythiophen-2-yl)-cyclopropylmethanone
CID 103417487
2-O-ethyl 4-O-methyl 3-amino-5-ethylsulfanylthiophene-2,4-dicarboxylate
CID 103417394
3-amino-5-ethylsulfanyl-4-propan-2-yloxy-N-propylthiophene-2-carboxamide
CID 103417474
3-amino-4-methoxy-5-methylsulfanylthiophene-2-carboxamide
CID 103526720
methyl 3-amino-5-[2-(dimethylamino)propylamino]-4-methoxythiophene-2-carboxylate
CID 103506972
methyl 3-amino-4-methoxy-5-(2-methoxyethylamino)thiophene-2-carboxylate
CID 103423455
3-amino-5-ethylsulfanyl-4-propan-2-yloxy-N-prop-2-enylthiophene-2-carboxamide
CID 103417496
methyl 3-amino-5-[butyl(ethyl)amino]-4-methoxythiophene-2-carboxylate
CID 103420554
methyl 3-amino-5-[4-(1-hydroxyethyl)piperidin-1-yl]-4-methoxythiophene-2-carboxylate
CID 106840044
methyl 3-amino-5-(2-methoxy-2-oxoethyl)sulfanyl-4-(trifluoromethyl)thiophene-2-carboxylate
CID 630109
methyl 3-methoxy-4,5-dimethylthiophene-2-carboxylate
CID 14154178

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-5-ethylsulfanyl-4-methoxythiophene-2-carboxylate?
The IUPAC name of methyl 3-amino-5-ethylsulfanyl-4-methoxythiophene-2-carboxylate (CID 103417502) is methyl 3-amino-5-ethylsulfanyl-4-methoxythiophene-2-carboxylate.
What is the SMILES notation for methyl 3-amino-5-ethylsulfanyl-4-methoxythiophene-2-carboxylate?
The canonical SMILES for methyl 3-amino-5-ethylsulfanyl-4-methoxythiophene-2-carboxylate is CCSc1sc(C(=O)OC)c(N)c1OC.
What is the InChIKey of methyl 3-amino-5-ethylsulfanyl-4-methoxythiophene-2-carboxylate?
The InChIKey is TVSGWFFXVCUFFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3S2/c1-4-14-9-6(12-2)5(10)7(15-9)8(11)13-3/h4,10H2,1-3H3.
What are the key properties of methyl 3-amino-5-ethylsulfanyl-4-methoxythiophene-2-carboxylate?
methyl 3-amino-5-ethylsulfanyl-4-methoxythiophene-2-carboxylate has a molecular weight of 247.34 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-5-ethylsulfanyl-4-methoxythiophene-2-carboxylate is sourced from PubChem (CID 103417502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).