thiophen-2-ylmethyl 2-amino-2-thiophen-2-ylacetate

C11H11NO2S2 — CID 115285074

IUPACthiophen-2-ylmethyl 2-amino-2-thiophen-2-ylacetate
SMILESNC(C(=O)OCc1cccs1)c1cccs1
InChIInChI=1S/C11H11NO2S2/c12-10(9-4-2-6-16-9)11(13)14-7-8-3-1-5-15-8/h1-6,10H,7,12H2
InChIKeyDZBFCTMGEPZESL-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.55
Rot. Bonds4

About thiophen-2-ylmethyl 2-amino-2-thiophen-2-ylacetate

thiophen-2-ylmethyl 2-amino-2-thiophen-2-ylacetate (PubChem CID 115285074) has the molecular formula C11H11NO2S2 and a molecular weight of 253.35 g/mol. Its IUPAC name is thiophen-2-ylmethyl 2-amino-2-thiophen-2-ylacetate.

Molecular Properties

Compound Namethiophen-2-ylmethyl 2-amino-2-thiophen-2-ylacetate
PubChem CID115285074
Molecular FormulaC11H11NO2S2
Molecular Weight253.35 g/mol
Exact Mass253.02
IUPAC Namethiophen-2-ylmethyl 2-amino-2-thiophen-2-ylacetate
SMILESNC(C(=O)OCc1cccs1)c1cccs1
InChIInChI=1S/C11H11NO2S2/c12-10(9-4-2-6-16-9)11(13)14-7-8-3-1-5-15-8/h1-6,10H,7,12H2
InChIKeyDZBFCTMGEPZESL-UHFFFAOYSA-N
XLogP2.55
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

thiophen-2-ylmethyl 3-amino-2-hydroxypropanoate
CID 66167892
3-oxo-3-(thiophen-2-ylmethoxy)-2-(thiophen-2-ylmethyl)propanoic acid
CID 175411942
thiophen-2-ylmethyl (2R)-2-amino-3-phenylpropanoate
CID 94230493
3,3-dimethylbutyl 2-amino-2-thiophen-2-ylacetate
CID 115285085
2-amino-2-thiophen-2-ylacetic acid;hydrochloride
CID 69120250
1-amino-1-thiophen-2-ylpropan-2-one
CID 55294508
thiophen-2-ylmethyl 5-aminohexanoate
CID 82846568
1-chloroethyl thiophen-2-ylmethyl carbonate
CID 19937872
thiophen-2-ylmethyl 4-aminobenzoate
CID 61322513
thiophen-2-ylmethyl 3-amino-3-methylbutanoate
CID 64701985
2-amino-N,N-bis(2-amino-2-oxoethyl)-2-thiophen-2-ylacetamide
CID 113279235
cyclobutyl 2-amino-2-thiophen-2-ylacetate
CID 115285077

Frequently Asked Questions

What is the IUPAC name of thiophen-2-ylmethyl 2-amino-2-thiophen-2-ylacetate?
The IUPAC name of thiophen-2-ylmethyl 2-amino-2-thiophen-2-ylacetate (CID 115285074) is thiophen-2-ylmethyl 2-amino-2-thiophen-2-ylacetate.
What is the SMILES notation for thiophen-2-ylmethyl 2-amino-2-thiophen-2-ylacetate?
The canonical SMILES for thiophen-2-ylmethyl 2-amino-2-thiophen-2-ylacetate is NC(C(=O)OCc1cccs1)c1cccs1.
What is the InChIKey of thiophen-2-ylmethyl 2-amino-2-thiophen-2-ylacetate?
The InChIKey is DZBFCTMGEPZESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2S2/c12-10(9-4-2-6-16-9)11(13)14-7-8-3-1-5-15-8/h1-6,10H,7,12H2.
What are the key properties of thiophen-2-ylmethyl 2-amino-2-thiophen-2-ylacetate?
thiophen-2-ylmethyl 2-amino-2-thiophen-2-ylacetate has a molecular weight of 253.35 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for thiophen-2-ylmethyl 2-amino-2-thiophen-2-ylacetate is sourced from PubChem (CID 115285074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).