thiophen-2-ylmethyl 1-(aminomethyl)cyclopropane-1-carboxylate

C10H13NO2S — CID 115451050

IUPACthiophen-2-ylmethyl 1-(aminomethyl)cyclopropane-1-carboxylate
SMILESNCC1(C(=O)OCc2cccs2)CC1
InChIInChI=1S/C10H13NO2S/c11-7-10(3-4-10)9(12)13-6-8-2-1-5-14-8/h1-2,5H,3-4,6-7,11H2
InChIKeyAUSRWMCUFRFCBN-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.53
Rot. Bonds4

About thiophen-2-ylmethyl 1-(aminomethyl)cyclopropane-1-carboxylate

thiophen-2-ylmethyl 1-(aminomethyl)cyclopropane-1-carboxylate (PubChem CID 115451050) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is thiophen-2-ylmethyl 1-(aminomethyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namethiophen-2-ylmethyl 1-(aminomethyl)cyclopropane-1-carboxylate
PubChem CID115451050
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Namethiophen-2-ylmethyl 1-(aminomethyl)cyclopropane-1-carboxylate
SMILESNCC1(C(=O)OCc2cccs2)CC1
InChIInChI=1S/C10H13NO2S/c11-7-10(3-4-10)9(12)13-6-8-2-1-5-14-8/h1-2,5H,3-4,6-7,11H2
InChIKeyAUSRWMCUFRFCBN-UHFFFAOYSA-N
XLogP1.53
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

thiophen-2-ylmethyl 1-(4-aminophenyl)cyclopropane-1-carboxylate
CID 112558524
thiophen-2-ylmethyl 3-propylpiperidine-3-carboxylate
CID 63137943
thiophen-2-ylmethyl 3-amino-2-hydroxypropanoate
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thiophen-2-ylmethyl 3-(trifluoromethyl)pyrrolidine-3-carboxylate
CID 55227065
benzyl 4-(aminomethyl)oxane-4-carboxylate
CID 115440225
thiophen-2-ylmethyl 2-amino-2-thiophen-2-ylacetate
CID 115285074
2-[1-(thiophen-2-ylmethoxymethyl)cyclopropyl]ethanamine
CID 65495835
1-(aminomethyl)-N-(1-thiophen-2-ylpropan-2-yl)cyclobutane-1-carboxamide
CID 113311585
3-oxo-3-(thiophen-2-ylmethoxy)-2-(thiophen-2-ylmethyl)propanoic acid
CID 175411942
thiophen-2-ylmethyl 3-amino-3-methylbutanoate
CID 64701985
thiophen-2-ylmethyl 4-aminobenzoate
CID 61322513
thiophen-2-ylmethyl 3-aminocyclopentane-1-carboxylate
CID 66031603

Frequently Asked Questions

What is the IUPAC name of thiophen-2-ylmethyl 1-(aminomethyl)cyclopropane-1-carboxylate?
The IUPAC name of thiophen-2-ylmethyl 1-(aminomethyl)cyclopropane-1-carboxylate (CID 115451050) is thiophen-2-ylmethyl 1-(aminomethyl)cyclopropane-1-carboxylate.
What is the SMILES notation for thiophen-2-ylmethyl 1-(aminomethyl)cyclopropane-1-carboxylate?
The canonical SMILES for thiophen-2-ylmethyl 1-(aminomethyl)cyclopropane-1-carboxylate is NCC1(C(=O)OCc2cccs2)CC1.
What is the InChIKey of thiophen-2-ylmethyl 1-(aminomethyl)cyclopropane-1-carboxylate?
The InChIKey is AUSRWMCUFRFCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c11-7-10(3-4-10)9(12)13-6-8-2-1-5-14-8/h1-2,5H,3-4,6-7,11H2.
What are the key properties of thiophen-2-ylmethyl 1-(aminomethyl)cyclopropane-1-carboxylate?
thiophen-2-ylmethyl 1-(aminomethyl)cyclopropane-1-carboxylate has a molecular weight of 211.29 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for thiophen-2-ylmethyl 1-(aminomethyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 115451050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).