ethyl 2-[cyclopropyl(2-phenylsulfanylethyl)amino]acetate

C15H21NO2S — CID 62025910

IUPACethyl 2-[cyclopropyl(2-phenylsulfanylethyl)amino]acetate
SMILESCCOC(=O)CN(CCSc1ccccc1)C1CC1
InChIInChI=1S/C15H21NO2S/c1-2-18-15(17)12-16(13-8-9-13)10-11-19-14-6-4-3-5-7-14/h3-7,13H,2,8-12H2,1H3
InChIKeyXUIHVQDXYGCMSV-UHFFFAOYSA-N
MW279.40 g/mol
LogP2.81
Rot. Bonds8

About ethyl 2-[cyclopropyl(2-phenylsulfanylethyl)amino]acetate

ethyl 2-[cyclopropyl(2-phenylsulfanylethyl)amino]acetate (PubChem CID 62025910) has the molecular formula C15H21NO2S and a molecular weight of 279.40 g/mol. Its IUPAC name is ethyl 2-[cyclopropyl(2-phenylsulfanylethyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[cyclopropyl(2-phenylsulfanylethyl)amino]acetate
PubChem CID62025910
Molecular FormulaC15H21NO2S
Molecular Weight279.40 g/mol
Exact Mass279.13
IUPAC Nameethyl 2-[cyclopropyl(2-phenylsulfanylethyl)amino]acetate
SMILESCCOC(=O)CN(CCSc1ccccc1)C1CC1
InChIInChI=1S/C15H21NO2S/c1-2-18-15(17)12-16(13-8-9-13)10-11-19-14-6-4-3-5-7-14/h3-7,13H,2,8-12H2,1H3
InChIKeyXUIHVQDXYGCMSV-UHFFFAOYSA-N
XLogP2.81
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[cyclopropyl(2-phenylsulfanylethyl)amino]acetate?
The IUPAC name of ethyl 2-[cyclopropyl(2-phenylsulfanylethyl)amino]acetate (CID 62025910) is ethyl 2-[cyclopropyl(2-phenylsulfanylethyl)amino]acetate.
What is the SMILES notation for ethyl 2-[cyclopropyl(2-phenylsulfanylethyl)amino]acetate?
The canonical SMILES for ethyl 2-[cyclopropyl(2-phenylsulfanylethyl)amino]acetate is CCOC(=O)CN(CCSc1ccccc1)C1CC1.
What is the InChIKey of ethyl 2-[cyclopropyl(2-phenylsulfanylethyl)amino]acetate?
The InChIKey is XUIHVQDXYGCMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2S/c1-2-18-15(17)12-16(13-8-9-13)10-11-19-14-6-4-3-5-7-14/h3-7,13H,2,8-12H2,1H3.
What are the key properties of ethyl 2-[cyclopropyl(2-phenylsulfanylethyl)amino]acetate?
ethyl 2-[cyclopropyl(2-phenylsulfanylethyl)amino]acetate has a molecular weight of 279.40 g/mol, XLogP of 2.81, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[cyclopropyl(2-phenylsulfanylethyl)amino]acetate is sourced from PubChem (CID 62025910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).