methyl 2-(2-amino-2-cyclopropylethyl)sulfanylacetate

C8H15NO2S — CID 64612916

IUPACmethyl 2-(2-amino-2-cyclopropylethyl)sulfanylacetate
SMILESCOC(=O)CSCC(N)C1CC1
InChIInChI=1S/C8H15NO2S/c1-11-8(10)5-12-4-7(9)6-2-3-6/h6-7H,2-5,9H2,1H3
InChIKeyYDRYKPQPWZTNCH-UHFFFAOYSA-N
MW189.28 g/mol
LogP0.63
Rot. Bonds5

About methyl 2-(2-amino-2-cyclopropylethyl)sulfanylacetate

methyl 2-(2-amino-2-cyclopropylethyl)sulfanylacetate (PubChem CID 64612916) has the molecular formula C8H15NO2S and a molecular weight of 189.28 g/mol. Its IUPAC name is methyl 2-(2-amino-2-cyclopropylethyl)sulfanylacetate.

Molecular Properties

Compound Namemethyl 2-(2-amino-2-cyclopropylethyl)sulfanylacetate
PubChem CID64612916
Molecular FormulaC8H15NO2S
Molecular Weight189.28 g/mol
Exact Mass189.08
IUPAC Namemethyl 2-(2-amino-2-cyclopropylethyl)sulfanylacetate
SMILESCOC(=O)CSCC(N)C1CC1
InChIInChI=1S/C8H15NO2S/c1-11-8(10)5-12-4-7(9)6-2-3-6/h6-7H,2-5,9H2,1H3
InChIKeyYDRYKPQPWZTNCH-UHFFFAOYSA-N
XLogP0.63
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-amino-2-cyclopropylethyl)sulfanylacetate?
The IUPAC name of methyl 2-(2-amino-2-cyclopropylethyl)sulfanylacetate (CID 64612916) is methyl 2-(2-amino-2-cyclopropylethyl)sulfanylacetate.
What is the SMILES notation for methyl 2-(2-amino-2-cyclopropylethyl)sulfanylacetate?
The canonical SMILES for methyl 2-(2-amino-2-cyclopropylethyl)sulfanylacetate is COC(=O)CSCC(N)C1CC1.
What is the InChIKey of methyl 2-(2-amino-2-cyclopropylethyl)sulfanylacetate?
The InChIKey is YDRYKPQPWZTNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2S/c1-11-8(10)5-12-4-7(9)6-2-3-6/h6-7H,2-5,9H2,1H3.
What are the key properties of methyl 2-(2-amino-2-cyclopropylethyl)sulfanylacetate?
methyl 2-(2-amino-2-cyclopropylethyl)sulfanylacetate has a molecular weight of 189.28 g/mol, XLogP of 0.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-amino-2-cyclopropylethyl)sulfanylacetate is sourced from PubChem (CID 64612916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).