2-(diethylamino)ethyl 2-(4-chlorophenyl)sulfanylacetate;hydrochloride

C14H21Cl2NO2S — CID 138399247

IUPAC2-(diethylamino)ethyl 2-(4-chlorophenyl)sulfanylacetate;hydrochloride
SMILESCCN(CC)CCOC(=O)CSc1ccc(Cl)cc1.Cl
InChIInChI=1S/C14H20ClNO2S.ClH/c1-3-16(4-2)9-10-18-14(17)11-19-13-7-5-12(15)6-8-13;/h5-8H,3-4,9-11H2,1-2H3;1H
InChIKeySGOFCKYJVQMSEE-UHFFFAOYSA-N
MW338.30 g/mol
LogP3.74
Rot. Bonds8

About 2-(diethylamino)ethyl 2-(4-chlorophenyl)sulfanylacetate;hydrochloride

2-(diethylamino)ethyl 2-(4-chlorophenyl)sulfanylacetate;hydrochloride (PubChem CID 138399247) has the molecular formula C14H21Cl2NO2S and a molecular weight of 338.30 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 2-(4-chlorophenyl)sulfanylacetate;hydrochloride.

Molecular Properties

Compound Name2-(diethylamino)ethyl 2-(4-chlorophenyl)sulfanylacetate;hydrochloride
PubChem CID138399247
Molecular FormulaC14H21Cl2NO2S
Molecular Weight338.30 g/mol
Exact Mass337.07
IUPAC Name2-(diethylamino)ethyl 2-(4-chlorophenyl)sulfanylacetate;hydrochloride
SMILESCCN(CC)CCOC(=O)CSc1ccc(Cl)cc1.Cl
InChIInChI=1S/C14H20ClNO2S.ClH/c1-3-16(4-2)9-10-18-14(17)11-19-13-7-5-12(15)6-8-13;/h5-8H,3-4,9-11H2,1-2H3;1H
InChIKeySGOFCKYJVQMSEE-UHFFFAOYSA-N
XLogP3.74
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.30
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl 2-(4-chlorophenyl)sulfanylacetate;hydrochloride?
The IUPAC name of 2-(diethylamino)ethyl 2-(4-chlorophenyl)sulfanylacetate;hydrochloride (CID 138399247) is 2-(diethylamino)ethyl 2-(4-chlorophenyl)sulfanylacetate;hydrochloride.
What is the SMILES notation for 2-(diethylamino)ethyl 2-(4-chlorophenyl)sulfanylacetate;hydrochloride?
The canonical SMILES for 2-(diethylamino)ethyl 2-(4-chlorophenyl)sulfanylacetate;hydrochloride is CCN(CC)CCOC(=O)CSc1ccc(Cl)cc1.Cl.
What is the InChIKey of 2-(diethylamino)ethyl 2-(4-chlorophenyl)sulfanylacetate;hydrochloride?
The InChIKey is SGOFCKYJVQMSEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2S.ClH/c1-3-16(4-2)9-10-18-14(17)11-19-13-7-5-12(15)6-8-13;/h5-8H,3-4,9-11H2,1-2H3;1H.
What are the key properties of 2-(diethylamino)ethyl 2-(4-chlorophenyl)sulfanylacetate;hydrochloride?
2-(diethylamino)ethyl 2-(4-chlorophenyl)sulfanylacetate;hydrochloride has a molecular weight of 338.30 g/mol, XLogP of 3.74, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl 2-(4-chlorophenyl)sulfanylacetate;hydrochloride is sourced from PubChem (CID 138399247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).