methyl 2-(2-aminopropylsulfanyl)-2-cyclopropylacetate

C9H17NO2S — CID 66218138

IUPACmethyl 2-(2-aminopropylsulfanyl)-2-cyclopropylacetate
SMILESCOC(=O)C(SCC(C)N)C1CC1
InChIInChI=1S/C9H17NO2S/c1-6(10)5-13-8(7-3-4-7)9(11)12-2/h6-8H,3-5,10H2,1-2H3
InChIKeyHAXDWYKTVPLAFK-UHFFFAOYSA-N
MW203.31 g/mol
LogP1.02
Rot. Bonds5

About methyl 2-(2-aminopropylsulfanyl)-2-cyclopropylacetate

methyl 2-(2-aminopropylsulfanyl)-2-cyclopropylacetate (PubChem CID 66218138) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is methyl 2-(2-aminopropylsulfanyl)-2-cyclopropylacetate.

Molecular Properties

Compound Namemethyl 2-(2-aminopropylsulfanyl)-2-cyclopropylacetate
PubChem CID66218138
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC Namemethyl 2-(2-aminopropylsulfanyl)-2-cyclopropylacetate
SMILESCOC(=O)C(SCC(C)N)C1CC1
InChIInChI=1S/C9H17NO2S/c1-6(10)5-13-8(7-3-4-7)9(11)12-2/h6-8H,3-5,10H2,1-2H3
InChIKeyHAXDWYKTVPLAFK-UHFFFAOYSA-N
XLogP1.02
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-aminopropylsulfanyl)-2-cyclopropylacetate?
The IUPAC name of methyl 2-(2-aminopropylsulfanyl)-2-cyclopropylacetate (CID 66218138) is methyl 2-(2-aminopropylsulfanyl)-2-cyclopropylacetate.
What is the SMILES notation for methyl 2-(2-aminopropylsulfanyl)-2-cyclopropylacetate?
The canonical SMILES for methyl 2-(2-aminopropylsulfanyl)-2-cyclopropylacetate is COC(=O)C(SCC(C)N)C1CC1.
What is the InChIKey of methyl 2-(2-aminopropylsulfanyl)-2-cyclopropylacetate?
The InChIKey is HAXDWYKTVPLAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2S/c1-6(10)5-13-8(7-3-4-7)9(11)12-2/h6-8H,3-5,10H2,1-2H3.
What are the key properties of methyl 2-(2-aminopropylsulfanyl)-2-cyclopropylacetate?
methyl 2-(2-aminopropylsulfanyl)-2-cyclopropylacetate has a molecular weight of 203.31 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-aminopropylsulfanyl)-2-cyclopropylacetate is sourced from PubChem (CID 66218138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).