ethyl (2R)-3-sulfanyl-2-(thiophene-2-carbonylamino)propanoate

C10H13NO3S2 — CID 3042860

IUPACethyl (2R)-3-sulfanyl-2-(thiophene-2-carbonylamino)propanoate
SMILESCCOC(=O)[C@H](CS)NC(=O)c1cccs1
InChIInChI=1S/C10H13NO3S2/c1-2-14-10(13)7(6-15)11-9(12)8-4-3-5-16-8/h3-5,7,15H,2,6H2,1H3,(H,11,12)/t7-/m0/s1
InChIKeyRWTOFNFMLZDLSX-ZETCQYMHSA-N
MW259.35 g/mol
LogP1.34
Rot. Bonds5

About ethyl (2R)-3-sulfanyl-2-(thiophene-2-carbonylamino)propanoate

ethyl (2R)-3-sulfanyl-2-(thiophene-2-carbonylamino)propanoate (PubChem CID 3042860) has the molecular formula C10H13NO3S2 and a molecular weight of 259.35 g/mol. Its IUPAC name is ethyl (2R)-3-sulfanyl-2-(thiophene-2-carbonylamino)propanoate.

Molecular Properties

Compound Nameethyl (2R)-3-sulfanyl-2-(thiophene-2-carbonylamino)propanoate
PubChem CID3042860
Molecular FormulaC10H13NO3S2
Molecular Weight259.35 g/mol
Exact Mass259.03
IUPAC Nameethyl (2R)-3-sulfanyl-2-(thiophene-2-carbonylamino)propanoate
SMILESCCOC(=O)[C@H](CS)NC(=O)c1cccs1
InChIInChI=1S/C10H13NO3S2/c1-2-14-10(13)7(6-15)11-9(12)8-4-3-5-16-8/h3-5,7,15H,2,6H2,1H3,(H,11,12)/t7-/m0/s1
InChIKeyRWTOFNFMLZDLSX-ZETCQYMHSA-N
XLogP1.34
TPSA55.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

Stepronin
CID 54120
Thiophene-2-carboxamide, N-tetrahydrofurfuryl-
CID 531922
l-Proline, N-(2-thienylcarbonyl)-, methyl ester
CID 531389
[(Thiophene-2-carbonyl)amino] acetic acid methyl ester
CID 531395
((2-Thienylcarbonyl)amino)acetic acid
CID 679227
Ethyl (5-bromothiophene-2-carbonyl)glycinate
CID 2225106
Ethyl (5-chlorothiophene-2-carbonyl)glycinate
CID 2225367
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] (2S)-2-(carbamoylamino)propanoate
CID 2448225
Methyl 4-methyl-2-(2-thienylcarbonylamino)pentanoate
CID 2916225
N-(2-methyl-2-morpholin-4-ylpropyl)thiophene-2-carboxamide
CID 25162372
N-(3-methoxypropyl)thiophene-2-carboxamide
CID 2057652
N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide
CID 2292963

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-3-sulfanyl-2-(thiophene-2-carbonylamino)propanoate?
The IUPAC name of ethyl (2R)-3-sulfanyl-2-(thiophene-2-carbonylamino)propanoate (CID 3042860) is ethyl (2R)-3-sulfanyl-2-(thiophene-2-carbonylamino)propanoate.
What is the SMILES notation for ethyl (2R)-3-sulfanyl-2-(thiophene-2-carbonylamino)propanoate?
The canonical SMILES for ethyl (2R)-3-sulfanyl-2-(thiophene-2-carbonylamino)propanoate is CCOC(=O)[C@H](CS)NC(=O)c1cccs1.
What is the InChIKey of ethyl (2R)-3-sulfanyl-2-(thiophene-2-carbonylamino)propanoate?
The InChIKey is RWTOFNFMLZDLSX-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H13NO3S2/c1-2-14-10(13)7(6-15)11-9(12)8-4-3-5-16-8/h3-5,7,15H,2,6H2,1H3,(H,11,12)/t7-/m0/s1.
What are the key properties of ethyl (2R)-3-sulfanyl-2-(thiophene-2-carbonylamino)propanoate?
ethyl (2R)-3-sulfanyl-2-(thiophene-2-carbonylamino)propanoate has a molecular weight of 259.35 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-3-sulfanyl-2-(thiophene-2-carbonylamino)propanoate is sourced from PubChem (CID 3042860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).