ethyl 3-amino-5-ethylsulfanylthiophene-2-carboxylate

C9H13NO2S2 — CID 103417485

IUPACethyl 3-amino-5-ethylsulfanylthiophene-2-carboxylate
SMILESCCOC(=O)c1sc(SCC)cc1N
InChIInChI=1S/C9H13NO2S2/c1-3-12-9(11)8-6(10)5-7(14-8)13-4-2/h5H,3-4,10H2,1-2H3
InChIKeyBYNHMRMHYCVPNJ-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.62
Rot. Bonds4

About ethyl 3-amino-5-ethylsulfanylthiophene-2-carboxylate

ethyl 3-amino-5-ethylsulfanylthiophene-2-carboxylate (PubChem CID 103417485) has the molecular formula C9H13NO2S2 and a molecular weight of 231.34 g/mol. Its IUPAC name is ethyl 3-amino-5-ethylsulfanylthiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-5-ethylsulfanylthiophene-2-carboxylate
PubChem CID103417485
Molecular FormulaC9H13NO2S2
Molecular Weight231.34 g/mol
Exact Mass231.04
IUPAC Nameethyl 3-amino-5-ethylsulfanylthiophene-2-carboxylate
SMILESCCOC(=O)c1sc(SCC)cc1N
InChIInChI=1S/C9H13NO2S2/c1-3-12-9(11)8-6(10)5-7(14-8)13-4-2/h5H,3-4,10H2,1-2H3
InChIKeyBYNHMRMHYCVPNJ-UHFFFAOYSA-N
XLogP2.62
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-5-ethylsulfanyl-N,N-dimethylthiophene-2-carboxamide
CID 103417381
ethyl 3-amino-5-(propylamino)thiophene-2-carboxylate
CID 103423163
ethane;ethyl 3-amino-5-tert-butylthiophene-2-carboxylate
CID 144715507
ethyl 3-amino-5-(pentan-3-ylamino)thiophene-2-carboxylate
CID 103424115
ethyl 3-amino-5-(3,5-difluorophenyl)thiophene-2-carboxylate
CID 43155562
ethyl 3-amino-5-[ethyl(propyl)amino]thiophene-2-carboxylate
CID 103421088
ethyl 3-amino-5-(4-methylthiophen-3-yl)thiophene-2-carboxylate
CID 79807771
ethyl 3-amino-5-(furan-2-yl)thiophene-2-carboxylate
CID 43155551
2-O-ethyl 4-O-methyl 3-amino-5-ethylsulfanylthiophene-2,4-dicarboxylate
CID 103417394
ethyl 3-amino-5-ethylsulfanyl-4-methoxythiophene-2-carboxylate
CID 103417399
ethyl 3-amino-5-[3-(diethylamino)propylamino]thiophene-2-carboxylate
CID 103425959
ethyl 3-amino-5-(3-ethylthiophen-2-yl)thiophene-2-carboxylate
CID 79976064

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-5-ethylsulfanylthiophene-2-carboxylate?
The IUPAC name of ethyl 3-amino-5-ethylsulfanylthiophene-2-carboxylate (CID 103417485) is ethyl 3-amino-5-ethylsulfanylthiophene-2-carboxylate.
What is the SMILES notation for ethyl 3-amino-5-ethylsulfanylthiophene-2-carboxylate?
The canonical SMILES for ethyl 3-amino-5-ethylsulfanylthiophene-2-carboxylate is CCOC(=O)c1sc(SCC)cc1N.
What is the InChIKey of ethyl 3-amino-5-ethylsulfanylthiophene-2-carboxylate?
The InChIKey is BYNHMRMHYCVPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S2/c1-3-12-9(11)8-6(10)5-7(14-8)13-4-2/h5H,3-4,10H2,1-2H3.
What are the key properties of ethyl 3-amino-5-ethylsulfanylthiophene-2-carboxylate?
ethyl 3-amino-5-ethylsulfanylthiophene-2-carboxylate has a molecular weight of 231.34 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-5-ethylsulfanylthiophene-2-carboxylate is sourced from PubChem (CID 103417485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).