4-amino-N-methyl-2-(thiolan-2-ylmethylamino)benzamide

C13H19N3OS — CID 80585073

IUPAC4-amino-N-methyl-2-(thiolan-2-ylmethylamino)benzamide
SMILESCNC(=O)c1ccc(N)cc1NCC1CCCS1
InChIInChI=1S/C13H19N3OS/c1-15-13(17)11-5-4-9(14)7-12(11)16-8-10-3-2-6-18-10/h4-5,7,10,16H,2-3,6,8,14H2,1H3,(H,15,17)
InChIKeyMQGRYXFYWRNJEA-UHFFFAOYSA-N
MW265.38 g/mol
LogP1.94
Rot. Bonds4

About 4-amino-N-methyl-2-(thiolan-2-ylmethylamino)benzamide

4-amino-N-methyl-2-(thiolan-2-ylmethylamino)benzamide (PubChem CID 80585073) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is 4-amino-N-methyl-2-(thiolan-2-ylmethylamino)benzamide.

Molecular Properties

Compound Name4-amino-N-methyl-2-(thiolan-2-ylmethylamino)benzamide
PubChem CID80585073
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC Name4-amino-N-methyl-2-(thiolan-2-ylmethylamino)benzamide
SMILESCNC(=O)c1ccc(N)cc1NCC1CCCS1
InChIInChI=1S/C13H19N3OS/c1-15-13(17)11-5-4-9(14)7-12(11)16-8-10-3-2-6-18-10/h4-5,7,10,16H,2-3,6,8,14H2,1H3,(H,15,17)
InChIKeyMQGRYXFYWRNJEA-UHFFFAOYSA-N
XLogP1.94
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-amino-N-methyl-2-(thiolan-2-ylmethylamino)benzamide 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

4-amino-2-(thiolan-2-ylmethylamino)benzoic acid
CID 80585996
5-amino-2-(dimethylamino)-N-(thiolan-2-ylmethyl)benzamide
CID 80583509
4-amino-3-(thiolan-2-ylmethylamino)benzamide
CID 80585007
4-amino-2-[(1-hydroxy-4-methylcyclohexyl)methylamino]-N-methylbenzamide
CID 65115543
4-methyl-2-(propylamino)-N-(thiolan-2-ylmethyl)benzamide
CID 80586222
4-amino-2-[[1-(dimethylamino)cyclobutyl]methylamino]-N-methylbenzamide
CID 105413811
4-nitro-2-(thiolan-2-ylmethylamino)benzoic acid
CID 80585301
2-(difluoromethyl)-1-N-(thian-2-ylmethyl)benzene-1,4-diamine
CID 80594855
4-amino-2-[[2-(hydroxymethyl)cyclopentyl]amino]-N-methylbenzamide
CID 106358913
5-bromo-2-(thiolan-2-ylmethylamino)benzoic acid
CID 114895916
3-methyl-4-(thiolan-2-ylmethylamino)benzoic acid
CID 80585481
2-N-(thiolan-2-ylmethyl)quinoline-2,6-diamine
CID 80584933

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-2-(thiolan-2-ylmethylamino)benzamide?
The IUPAC name of 4-amino-N-methyl-2-(thiolan-2-ylmethylamino)benzamide (CID 80585073) is 4-amino-N-methyl-2-(thiolan-2-ylmethylamino)benzamide.
What is the SMILES notation for 4-amino-N-methyl-2-(thiolan-2-ylmethylamino)benzamide?
The canonical SMILES for 4-amino-N-methyl-2-(thiolan-2-ylmethylamino)benzamide is CNC(=O)c1ccc(N)cc1NCC1CCCS1.
What is the InChIKey of 4-amino-N-methyl-2-(thiolan-2-ylmethylamino)benzamide?
The InChIKey is MQGRYXFYWRNJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-15-13(17)11-5-4-9(14)7-12(11)16-8-10-3-2-6-18-10/h4-5,7,10,16H,2-3,6,8,14H2,1H3,(H,15,17).
What are the key properties of 4-amino-N-methyl-2-(thiolan-2-ylmethylamino)benzamide?
4-amino-N-methyl-2-(thiolan-2-ylmethylamino)benzamide has a molecular weight of 265.38 g/mol, XLogP of 1.94, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-2-(thiolan-2-ylmethylamino)benzamide is sourced from PubChem (CID 80585073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).