N-(2-amino-4-hydroxyphenyl)-2-methylthiolane-2-carboxamide

C12H16N2O2S — CID 107697546

IUPACN-(2-amino-4-hydroxyphenyl)-2-methylthiolane-2-carboxamide
SMILESCC1(C(=O)Nc2ccc(O)cc2N)CCCS1
InChIInChI=1S/C12H16N2O2S/c1-12(5-2-6-17-12)11(16)14-10-4-3-8(15)7-9(10)13/h3-4,7,15H,2,5-6,13H2,1H3,(H,14,16)
InChIKeyGZDUVXXYKVPWFL-UHFFFAOYSA-N
MW252.34 g/mol
LogP2.20
Rot. Bonds2

About N-(2-amino-4-hydroxyphenyl)-2-methylthiolane-2-carboxamide

N-(2-amino-4-hydroxyphenyl)-2-methylthiolane-2-carboxamide (PubChem CID 107697546) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is N-(2-amino-4-hydroxyphenyl)-2-methylthiolane-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-4-hydroxyphenyl)-2-methylthiolane-2-carboxamide
PubChem CID107697546
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC NameN-(2-amino-4-hydroxyphenyl)-2-methylthiolane-2-carboxamide
SMILESCC1(C(=O)Nc2ccc(O)cc2N)CCCS1
InChIInChI=1S/C12H16N2O2S/c1-12(5-2-6-17-12)11(16)14-10-4-3-8(15)7-9(10)13/h3-4,7,15H,2,5-6,13H2,1H3,(H,14,16)
InChIKeyGZDUVXXYKVPWFL-UHFFFAOYSA-N
XLogP2.20
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze N-(2-amino-4-hydroxyphenyl)-2-methylthiolane-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-hydroxyphenyl)-2-methylthiolane-2-carboxamide?
The IUPAC name of N-(2-amino-4-hydroxyphenyl)-2-methylthiolane-2-carboxamide (CID 107697546) is N-(2-amino-4-hydroxyphenyl)-2-methylthiolane-2-carboxamide.
What is the SMILES notation for N-(2-amino-4-hydroxyphenyl)-2-methylthiolane-2-carboxamide?
The canonical SMILES for N-(2-amino-4-hydroxyphenyl)-2-methylthiolane-2-carboxamide is CC1(C(=O)Nc2ccc(O)cc2N)CCCS1.
What is the InChIKey of N-(2-amino-4-hydroxyphenyl)-2-methylthiolane-2-carboxamide?
The InChIKey is GZDUVXXYKVPWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c1-12(5-2-6-17-12)11(16)14-10-4-3-8(15)7-9(10)13/h3-4,7,15H,2,5-6,13H2,1H3,(H,14,16).
What are the key properties of N-(2-amino-4-hydroxyphenyl)-2-methylthiolane-2-carboxamide?
N-(2-amino-4-hydroxyphenyl)-2-methylthiolane-2-carboxamide has a molecular weight of 252.34 g/mol, XLogP of 2.20, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-hydroxyphenyl)-2-methylthiolane-2-carboxamide is sourced from PubChem (CID 107697546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).