3-[(2S)-2-(3-chlorophenyl)-2-methylsulfanylethyl]-1-[(2S)-2-hydroxypropyl]-1-methylurea

C14H21ClN2O2S — CID 97333116

IUPAC3-[(2S)-2-(3-chlorophenyl)-2-methylsulfanylethyl]-1-[(2S)-2-hydroxypropyl]-1-methylurea
SMILESCS[C@H](CNC(=O)N(C)C[C@H](C)O)c1cccc(Cl)c1
InChIInChI=1S/C14H21ClN2O2S/c1-10(18)9-17(2)14(19)16-8-13(20-3)11-5-4-6-12(15)7-11/h4-7,10,13,18H,8-9H2,1-3H3,(H,16,19)/t10-,13+/m0/s1
InChIKeyXCGXOORRJNYYMJ-GXFFZTMASA-N
MW316.85 g/mol
LogP2.77
Rot. Bonds6

About 3-[(2S)-2-(3-chlorophenyl)-2-methylsulfanylethyl]-1-[(2S)-2-hydroxypropyl]-1-methylurea

3-[(2S)-2-(3-chlorophenyl)-2-methylsulfanylethyl]-1-[(2S)-2-hydroxypropyl]-1-methylurea (PubChem CID 97333116) has the molecular formula C14H21ClN2O2S and a molecular weight of 316.85 g/mol. Its IUPAC name is 3-[(2S)-2-(3-chlorophenyl)-2-methylsulfanylethyl]-1-[(2S)-2-hydroxypropyl]-1-methylurea.

Molecular Properties

Compound Name3-[(2S)-2-(3-chlorophenyl)-2-methylsulfanylethyl]-1-[(2S)-2-hydroxypropyl]-1-methylurea
PubChem CID97333116
Molecular FormulaC14H21ClN2O2S
Molecular Weight316.85 g/mol
Exact Mass316.10
IUPAC Name3-[(2S)-2-(3-chlorophenyl)-2-methylsulfanylethyl]-1-[(2S)-2-hydroxypropyl]-1-methylurea
SMILESCS[C@H](CNC(=O)N(C)C[C@H](C)O)c1cccc(Cl)c1
InChIInChI=1S/C14H21ClN2O2S/c1-10(18)9-17(2)14(19)16-8-13(20-3)11-5-4-6-12(15)7-11/h4-7,10,13,18H,8-9H2,1-3H3,(H,16,19)/t10-,13+/m0/s1
InChIKeyXCGXOORRJNYYMJ-GXFFZTMASA-N
XLogP2.77
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.85
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(2S)-2-(3-chlorophenyl)-2-methylsulfanylethyl]-1-[(2S)-2-hydroxypropyl]-1-methylurea 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

N-[2-(3-chlorophenyl)-2-methylsulfanylethyl]-3-(2-hydroxyethyl)pyrrolidine-1-carboxamide
CID 75379052
6-[[(2R)-2-(3-chlorophenyl)-2-methylsulfanylethyl]amino]pyridazine-3-carboxamide
CID 96520494
3-[2-(3-chlorophenyl)-2-methylsulfanylethyl]-1,2-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine
CID 109421486
3-[2-(3-chlorophenyl)-2-methylsulfanylethyl]-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine;hydroiodide
CID 109385236
(2S)-N-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-2-methylsulfanylpropanamide
CID 96517717
1-[1-(3-chlorophenyl)ethylamino]propan-2-ol
CID 43499317
2-(4-acetamidophenyl)-N-[1-(3-chlorophenyl)ethyl]-N-methylacetamide
CID 134053894
2-[2-(3-chlorophenyl)propanoyl-methylamino]acetic acid
CID 119346309
2-amino-4-chloro-N-(2-hydroxypropyl)-N-methylbenzamide
CID 62334921
N-[1-(3-chlorophenyl)ethyl]-3-(ethylamino)-N,2-dimethylpropanamide
CID 62852041
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-methyl-N-propan-2-ylacetamide
CID 81372685
2-[[1-(3-chlorophenyl)ethyl-methylcarbamoyl]-methylamino]acetic acid
CID 62983892

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-2-(3-chlorophenyl)-2-methylsulfanylethyl]-1-[(2S)-2-hydroxypropyl]-1-methylurea?
The IUPAC name of 3-[(2S)-2-(3-chlorophenyl)-2-methylsulfanylethyl]-1-[(2S)-2-hydroxypropyl]-1-methylurea (CID 97333116) is 3-[(2S)-2-(3-chlorophenyl)-2-methylsulfanylethyl]-1-[(2S)-2-hydroxypropyl]-1-methylurea.
What is the SMILES notation for 3-[(2S)-2-(3-chlorophenyl)-2-methylsulfanylethyl]-1-[(2S)-2-hydroxypropyl]-1-methylurea?
The canonical SMILES for 3-[(2S)-2-(3-chlorophenyl)-2-methylsulfanylethyl]-1-[(2S)-2-hydroxypropyl]-1-methylurea is CS[C@H](CNC(=O)N(C)C[C@H](C)O)c1cccc(Cl)c1.
What is the InChIKey of 3-[(2S)-2-(3-chlorophenyl)-2-methylsulfanylethyl]-1-[(2S)-2-hydroxypropyl]-1-methylurea?
The InChIKey is XCGXOORRJNYYMJ-GXFFZTMASA-N. The full InChI is InChI=1S/C14H21ClN2O2S/c1-10(18)9-17(2)14(19)16-8-13(20-3)11-5-4-6-12(15)7-11/h4-7,10,13,18H,8-9H2,1-3H3,(H,16,19)/t10-,13+/m0/s1.
What are the key properties of 3-[(2S)-2-(3-chlorophenyl)-2-methylsulfanylethyl]-1-[(2S)-2-hydroxypropyl]-1-methylurea?
3-[(2S)-2-(3-chlorophenyl)-2-methylsulfanylethyl]-1-[(2S)-2-hydroxypropyl]-1-methylurea has a molecular weight of 316.85 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-2-(3-chlorophenyl)-2-methylsulfanylethyl]-1-[(2S)-2-hydroxypropyl]-1-methylurea is sourced from PubChem (CID 97333116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).