(4S)-4-[[4-methoxy-3-(sulfinoamino)phenyl]methyl]-2-oxo-1,3-thiazolidine

C11H14N2O4S2 — CID 71053977

IUPAC(4S)-4-[[4-methoxy-3-(sulfinoamino)phenyl]methyl]-2-oxo-1,3-thiazolidine
SMILESCOc1ccc(C[C@H]2CSC(=O)N2)cc1NS(=O)O
InChIInChI=1S/C11H14N2O4S2/c1-17-10-3-2-7(5-9(10)13-19(15)16)4-8-6-18-11(14)12-8/h2-3,5,8,13H,4,6H2,1H3,(H,12,14)(H,15,16)/t8-/m0/s1
InChIKeyRMUPMETXBMJNJT-QMMMGPOBSA-N
MW302.38 g/mol
LogP1.61
Rot. Bonds5

About (4S)-4-[[4-methoxy-3-(sulfinoamino)phenyl]methyl]-2-oxo-1,3-thiazolidine

(4S)-4-[[4-methoxy-3-(sulfinoamino)phenyl]methyl]-2-oxo-1,3-thiazolidine (PubChem CID 71053977) has the molecular formula C11H14N2O4S2 and a molecular weight of 302.38 g/mol. Its IUPAC name is (4S)-4-[[4-methoxy-3-(sulfinoamino)phenyl]methyl]-2-oxo-1,3-thiazolidine.

Molecular Properties

Compound Name(4S)-4-[[4-methoxy-3-(sulfinoamino)phenyl]methyl]-2-oxo-1,3-thiazolidine
PubChem CID71053977
Molecular FormulaC11H14N2O4S2
Molecular Weight302.38 g/mol
Exact Mass302.04
IUPAC Name(4S)-4-[[4-methoxy-3-(sulfinoamino)phenyl]methyl]-2-oxo-1,3-thiazolidine
SMILESCOc1ccc(C[C@H]2CSC(=O)N2)cc1NS(=O)O
InChIInChI=1S/C11H14N2O4S2/c1-17-10-3-2-7(5-9(10)13-19(15)16)4-8-6-18-11(14)12-8/h2-3,5,8,13H,4,6H2,1H3,(H,12,14)(H,15,16)/t8-/m0/s1
InChIKeyRMUPMETXBMJNJT-QMMMGPOBSA-N
XLogP1.61
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze (4S)-4-[[4-methoxy-3-(sulfinoamino)phenyl]methyl]-2-oxo-1,3-thiazolidine 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

1-methoxy-4-(2-oxopropyl)-2-(sulfinoamino)benzene
CID 22020329
3-[4-methoxy-3-(sulfinoamino)phenyl]-5,5-dimethyl-4H-1,2-oxazole
CID 177113747
4-[(4-hydroxy-3-methoxyphenyl)methyl]imidazolidin-2-one
CID 154097801
CID 149375552
CID 149375552
N-(3-amino-4-methoxyphenyl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 43599815
2-methoxy-5-(sulfinoamino)benzenesulfinic acid
CID 152789365
N-(5-ethyl-2-methoxyphenyl)cyclopropanecarboxamide
CID 110777232
2-[(3-bromo-4-methoxyphenyl)methyl]azetidine
CID 84708784
N-[(3-acetamido-4-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110794394
2-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-3-one
CID 83841846
5-(cyclopropylmethyl)-2-methoxyphenol
CID 115015182
N-[5-[2-(cyclopropylamino)ethyl]-2-methoxyphenyl]acetamide
CID 98015785

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[[4-methoxy-3-(sulfinoamino)phenyl]methyl]-2-oxo-1,3-thiazolidine?
The IUPAC name of (4S)-4-[[4-methoxy-3-(sulfinoamino)phenyl]methyl]-2-oxo-1,3-thiazolidine (CID 71053977) is (4S)-4-[[4-methoxy-3-(sulfinoamino)phenyl]methyl]-2-oxo-1,3-thiazolidine.
What is the SMILES notation for (4S)-4-[[4-methoxy-3-(sulfinoamino)phenyl]methyl]-2-oxo-1,3-thiazolidine?
The canonical SMILES for (4S)-4-[[4-methoxy-3-(sulfinoamino)phenyl]methyl]-2-oxo-1,3-thiazolidine is COc1ccc(C[C@H]2CSC(=O)N2)cc1NS(=O)O.
What is the InChIKey of (4S)-4-[[4-methoxy-3-(sulfinoamino)phenyl]methyl]-2-oxo-1,3-thiazolidine?
The InChIKey is RMUPMETXBMJNJT-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H14N2O4S2/c1-17-10-3-2-7(5-9(10)13-19(15)16)4-8-6-18-11(14)12-8/h2-3,5,8,13H,4,6H2,1H3,(H,12,14)(H,15,16)/t8-/m0/s1.
What are the key properties of (4S)-4-[[4-methoxy-3-(sulfinoamino)phenyl]methyl]-2-oxo-1,3-thiazolidine?
(4S)-4-[[4-methoxy-3-(sulfinoamino)phenyl]methyl]-2-oxo-1,3-thiazolidine has a molecular weight of 302.38 g/mol, XLogP of 1.61, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[[4-methoxy-3-(sulfinoamino)phenyl]methyl]-2-oxo-1,3-thiazolidine is sourced from PubChem (CID 71053977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).