4-[2-(3-chlorophenyl)-2-methylsulfanylacetyl]morpholine-3-carboxylic acid

C14H16ClNO4S — CID 166277065

IUPAC4-[2-(3-chlorophenyl)-2-methylsulfanylacetyl]morpholine-3-carboxylic acid
SMILESCSC(C(=O)N1CCOCC1C(=O)O)c1cccc(Cl)c1
InChIInChI=1S/C14H16ClNO4S/c1-21-12(9-3-2-4-10(15)7-9)13(17)16-5-6-20-8-11(16)14(18)19/h2-4,7,11-12H,5-6,8H2,1H3,(H,18,19)
InChIKeyCUNWDNMLXNDIAF-UHFFFAOYSA-N
MW329.81 g/mol
LogP2.06
Rot. Bonds4

About 4-[2-(3-chlorophenyl)-2-methylsulfanylacetyl]morpholine-3-carboxylic acid

4-[2-(3-chlorophenyl)-2-methylsulfanylacetyl]morpholine-3-carboxylic acid (PubChem CID 166277065) has the molecular formula C14H16ClNO4S and a molecular weight of 329.81 g/mol. Its IUPAC name is 4-[2-(3-chlorophenyl)-2-methylsulfanylacetyl]morpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-[2-(3-chlorophenyl)-2-methylsulfanylacetyl]morpholine-3-carboxylic acid
PubChem CID166277065
Molecular FormulaC14H16ClNO4S
Molecular Weight329.81 g/mol
Exact Mass329.05
IUPAC Name4-[2-(3-chlorophenyl)-2-methylsulfanylacetyl]morpholine-3-carboxylic acid
SMILESCSC(C(=O)N1CCOCC1C(=O)O)c1cccc(Cl)c1
InChIInChI=1S/C14H16ClNO4S/c1-21-12(9-3-2-4-10(15)7-9)13(17)16-5-6-20-8-11(16)14(18)19/h2-4,7,11-12H,5-6,8H2,1H3,(H,18,19)
InChIKeyCUNWDNMLXNDIAF-UHFFFAOYSA-N
XLogP2.06
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.81
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[2-(3-chlorophenyl)-2-methylsulfanylacetyl]morpholine-3-carboxylic 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

(3S)-4-[(2R)-2-(3-fluorophenyl)propanoyl]morpholine-3-carboxylic acid
CID 125154094
(3S)-4-[(2S)-2-(3-methylphenyl)propanoyl]morpholine-3-carboxylic acid
CID 125153512
(3S)-4-[(2S)-2-methoxy-2-phenylacetyl]morpholine-3-carboxylic acid
CID 124513285
4-[3-(2,4-dichlorophenyl)-2-methylpropanoyl]morpholine-3-carboxylic acid
CID 119216451
(3S)-4-[(1S,2R)-2-(3-chlorophenyl)cyclopropanecarbonyl]morpholine-3-carboxylic acid
CID 125153592
(3R)-4-[1-(3-chlorophenyl)pyrazole-3-carbonyl]morpholine-3-carboxylic acid
CID 125153701
4-[2-amino-2-(4-methylphenyl)acetyl]morpholine-3-carboxylic acid
CID 106312457
(3S)-4-[(2S)-2-(3-fluorophenoxy)propanoyl]morpholine-3-carboxylic acid
CID 124513571
(3S)-4-[(2R)-2-(4-methoxyphenyl)propanoyl]morpholine-3-carboxylic acid
CID 125119447
(3S)-4-[(2S)-4-(3-fluorophenyl)-2-methylbutanoyl]morpholine-3-carboxylic acid
CID 125153431
(3R)-4-[2-(5-chloro-2-methoxyphenyl)acetyl]morpholine-3-carboxylic acid
CID 124513245
methyl 4-(3-chlorobenzoyl)morpholine-3-carboxylate
CID 113247579

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-chlorophenyl)-2-methylsulfanylacetyl]morpholine-3-carboxylic acid?
The IUPAC name of 4-[2-(3-chlorophenyl)-2-methylsulfanylacetyl]morpholine-3-carboxylic acid (CID 166277065) is 4-[2-(3-chlorophenyl)-2-methylsulfanylacetyl]morpholine-3-carboxylic acid.
What is the SMILES notation for 4-[2-(3-chlorophenyl)-2-methylsulfanylacetyl]morpholine-3-carboxylic acid?
The canonical SMILES for 4-[2-(3-chlorophenyl)-2-methylsulfanylacetyl]morpholine-3-carboxylic acid is CSC(C(=O)N1CCOCC1C(=O)O)c1cccc(Cl)c1.
What is the InChIKey of 4-[2-(3-chlorophenyl)-2-methylsulfanylacetyl]morpholine-3-carboxylic acid?
The InChIKey is CUNWDNMLXNDIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO4S/c1-21-12(9-3-2-4-10(15)7-9)13(17)16-5-6-20-8-11(16)14(18)19/h2-4,7,11-12H,5-6,8H2,1H3,(H,18,19).
What are the key properties of 4-[2-(3-chlorophenyl)-2-methylsulfanylacetyl]morpholine-3-carboxylic acid?
4-[2-(3-chlorophenyl)-2-methylsulfanylacetyl]morpholine-3-carboxylic acid has a molecular weight of 329.81 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-chlorophenyl)-2-methylsulfanylacetyl]morpholine-3-carboxylic acid is sourced from PubChem (CID 166277065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).