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

C10H15NO3S2 — CID 103417399

IUPACethyl 3-amino-5-ethylsulfanyl-4-methoxythiophene-2-carboxylate
SMILESCCOC(=O)c1sc(SCC)c(OC)c1N
InChIInChI=1S/C10H15NO3S2/c1-4-14-9(12)8-6(11)7(13-3)10(16-8)15-5-2/h4-5,11H2,1-3H3
InChIKeyCMMJPCJLGGVQNR-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.63
Rot. Bonds5

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

ethyl 3-amino-5-ethylsulfanyl-4-methoxythiophene-2-carboxylate (PubChem CID 103417399) has the molecular formula C10H15NO3S2 and a molecular weight of 261.37 g/mol. Its IUPAC name is ethyl 3-amino-5-ethylsulfanyl-4-methoxythiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-5-ethylsulfanyl-4-methoxythiophene-2-carboxylate
PubChem CID103417399
Molecular FormulaC10H15NO3S2
Molecular Weight261.37 g/mol
Exact Mass261.05
IUPAC Nameethyl 3-amino-5-ethylsulfanyl-4-methoxythiophene-2-carboxylate
SMILESCCOC(=O)c1sc(SCC)c(OC)c1N
InChIInChI=1S/C10H15NO3S2/c1-4-14-9(12)8-6(11)7(13-3)10(16-8)15-5-2/h4-5,11H2,1-3H3
InChIKeyCMMJPCJLGGVQNR-UHFFFAOYSA-N
XLogP2.63
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-amino-5-ethylsulfanyl-4-methoxythiophene-2-carboxylate
CID 103417502
2-O-ethyl 4-O-methyl 3-amino-5-ethylsulfanylthiophene-2,4-dicarboxylate
CID 103417394
(3-amino-5-ethylsulfanyl-4-methoxythiophen-2-yl)-cyclopropylmethanone
CID 103417487
ethyl 4-carbamoyl-5-ethylsulfanyl-3-methylthiophene-2-carboxylate
CID 102589254
ethyl 3-amino-4-methoxy-5-(pentan-3-ylamino)thiophene-2-carboxylate
CID 103424037
ethyl 3-amino-5-(cyclopropylmethylamino)-4-methoxythiophene-2-carboxylate
CID 103424571
ethyl 3-amino-4-methoxy-5-(1-methoxypropan-2-ylamino)thiophene-2-carboxylate
CID 103425032
ethyl 3-amino-4-ethyl-5-methoxythiophene-2-carboxylate
CID 19064904
3-amino-5-ethylsulfanyl-4-propan-2-yloxy-N-propylthiophene-2-carboxamide
CID 103417474
3-amino-4-methoxy-5-methylsulfanylthiophene-2-carboxamide
CID 103526720
ethyl 3-amino-5-ethylsulfanylthiophene-2-carboxylate
CID 103417485
ethyl 3-amino-4-methoxy-5-(2,2,3,3-tetrafluoropropylamino)thiophene-2-carboxylate
CID 106296512

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-5-ethylsulfanyl-4-methoxythiophene-2-carboxylate?
The IUPAC name of ethyl 3-amino-5-ethylsulfanyl-4-methoxythiophene-2-carboxylate (CID 103417399) is ethyl 3-amino-5-ethylsulfanyl-4-methoxythiophene-2-carboxylate.
What is the SMILES notation for ethyl 3-amino-5-ethylsulfanyl-4-methoxythiophene-2-carboxylate?
The canonical SMILES for ethyl 3-amino-5-ethylsulfanyl-4-methoxythiophene-2-carboxylate is CCOC(=O)c1sc(SCC)c(OC)c1N.
What is the InChIKey of ethyl 3-amino-5-ethylsulfanyl-4-methoxythiophene-2-carboxylate?
The InChIKey is CMMJPCJLGGVQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3S2/c1-4-14-9(12)8-6(11)7(13-3)10(16-8)15-5-2/h4-5,11H2,1-3H3.
What are the key properties of ethyl 3-amino-5-ethylsulfanyl-4-methoxythiophene-2-carboxylate?
ethyl 3-amino-5-ethylsulfanyl-4-methoxythiophene-2-carboxylate has a molecular weight of 261.37 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-5-ethylsulfanyl-4-methoxythiophene-2-carboxylate is sourced from PubChem (CID 103417399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).