2-[2-(diethylamino)-2-oxoethyl]sulfanyl-2-methylpropanoic acid

C10H19NO3S — CID 81223331

IUPAC2-[2-(diethylamino)-2-oxoethyl]sulfanyl-2-methylpropanoic acid
SMILESCCN(CC)C(=O)CSC(C)(C)C(=O)O
InChIInChI=1S/C10H19NO3S/c1-5-11(6-2)8(12)7-15-10(3,4)9(13)14/h5-7H2,1-4H3,(H,13,14)
InChIKeyRQGFNSNVSLHMBQ-UHFFFAOYSA-N
MW233.33 g/mol
LogP1.45
Rot. Bonds6

About 2-[2-(diethylamino)-2-oxoethyl]sulfanyl-2-methylpropanoic acid

2-[2-(diethylamino)-2-oxoethyl]sulfanyl-2-methylpropanoic acid (PubChem CID 81223331) has the molecular formula C10H19NO3S and a molecular weight of 233.33 g/mol. Its IUPAC name is 2-[2-(diethylamino)-2-oxoethyl]sulfanyl-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[2-(diethylamino)-2-oxoethyl]sulfanyl-2-methylpropanoic acid
PubChem CID81223331
Molecular FormulaC10H19NO3S
Molecular Weight233.33 g/mol
Exact Mass233.11
IUPAC Name2-[2-(diethylamino)-2-oxoethyl]sulfanyl-2-methylpropanoic acid
SMILESCCN(CC)C(=O)CSC(C)(C)C(=O)O
InChIInChI=1S/C10H19NO3S/c1-5-11(6-2)8(12)7-15-10(3,4)9(13)14/h5-7H2,1-4H3,(H,13,14)
InChIKeyRQGFNSNVSLHMBQ-UHFFFAOYSA-N
XLogP1.45
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-(diethylamino)-2-oxoethyl]sulfanyl-2-methylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]sulfanyl-2-methylpropanoic acid
CID 81222368
2-methyl-2-[2-(N-methylanilino)-2-oxoethyl]sulfanylpropanoic acid
CID 81222480
2-[1-(diethylamino)ethenylsulfanyl]-2-methylpropanoic acid
CID 139527528
2-methyl-2-[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]sulfanylpropanoic acid
CID 81222629
2-amino-5-[2-(diethylamino)-2-oxoethyl]sulfanyl-2-methylpentanoic acid
CID 114234540
ethyl 2-[(2-tert-butylsulfanylacetyl)-ethylamino]acetate
CID 54901432
2-butylsulfanyl-N,N-diethylacetamide
CID 12528633
2-(6-ethoxy-6-oxohexyl)sulfanyl-2-methylpropanoic acid
CID 81229762
2-(2-ethyl-2-hydroxybutyl)sulfanyl-2-methylpropanoic acid
CID 114491469
2-[2-(butylamino)-2-oxoethyl]sulfanyl-2-methylpropanoic acid
CID 79015465
2-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpropanoic acid
CID 79015410
5-tert-butylsulfanyl-2,2-diethyl-4-oxopentanoic acid
CID 89228319

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)-2-oxoethyl]sulfanyl-2-methylpropanoic acid?
The IUPAC name of 2-[2-(diethylamino)-2-oxoethyl]sulfanyl-2-methylpropanoic acid (CID 81223331) is 2-[2-(diethylamino)-2-oxoethyl]sulfanyl-2-methylpropanoic acid.
What is the SMILES notation for 2-[2-(diethylamino)-2-oxoethyl]sulfanyl-2-methylpropanoic acid?
The canonical SMILES for 2-[2-(diethylamino)-2-oxoethyl]sulfanyl-2-methylpropanoic acid is CCN(CC)C(=O)CSC(C)(C)C(=O)O.
What is the InChIKey of 2-[2-(diethylamino)-2-oxoethyl]sulfanyl-2-methylpropanoic acid?
The InChIKey is RQGFNSNVSLHMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3S/c1-5-11(6-2)8(12)7-15-10(3,4)9(13)14/h5-7H2,1-4H3,(H,13,14).
What are the key properties of 2-[2-(diethylamino)-2-oxoethyl]sulfanyl-2-methylpropanoic acid?
2-[2-(diethylamino)-2-oxoethyl]sulfanyl-2-methylpropanoic acid has a molecular weight of 233.33 g/mol, XLogP of 1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)-2-oxoethyl]sulfanyl-2-methylpropanoic acid is sourced from PubChem (CID 81223331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).