N-(1,4-dithian-2-ylmethyl)-4-(methylamino)benzamide

C13H18N2OS2 — CID 113489585

IUPACN-(1,4-dithian-2-ylmethyl)-4-(methylamino)benzamide
SMILESCNc1ccc(C(=O)NCC2CSCCS2)cc1
InChIInChI=1S/C13H18N2OS2/c1-14-11-4-2-10(3-5-11)13(16)15-8-12-9-17-6-7-18-12/h2-5,12,14H,6-9H2,1H3,(H,15,16)
InChIKeyPPDORSAYNWHQRM-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.31
Rot. Bonds4

About N-(1,4-dithian-2-ylmethyl)-4-(methylamino)benzamide

N-(1,4-dithian-2-ylmethyl)-4-(methylamino)benzamide (PubChem CID 113489585) has the molecular formula C13H18N2OS2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N-(1,4-dithian-2-ylmethyl)-4-(methylamino)benzamide.

Molecular Properties

Compound NameN-(1,4-dithian-2-ylmethyl)-4-(methylamino)benzamide
PubChem CID113489585
Molecular FormulaC13H18N2OS2
Molecular Weight282.43 g/mol
Exact Mass282.09
IUPAC NameN-(1,4-dithian-2-ylmethyl)-4-(methylamino)benzamide
SMILESCNc1ccc(C(=O)NCC2CSCCS2)cc1
InChIInChI=1S/C13H18N2OS2/c1-14-11-4-2-10(3-5-11)13(16)15-8-12-9-17-6-7-18-12/h2-5,12,14H,6-9H2,1H3,(H,15,16)
InChIKeyPPDORSAYNWHQRM-UHFFFAOYSA-N
XLogP2.31
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(1,4-dithian-2-ylmethyl)-4-(methylamino)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

2-(1,4-dithian-2-ylmethylcarbamoyl)-3,6-dimethylbenzoic acid
CID 103429338
2-bromo-N-(1,4-dithian-2-ylmethyl)benzamide
CID 115684611
3-bromo-N-[[(2R)-1,4-dithian-2-yl]methyl]thiophene-2-carboxamide
CID 124569559
3-(difluoromethoxy)-N-(1,4-dithian-2-ylmethyl)benzamide
CID 122150276
3-(difluoromethoxy)-N-[[(2S)-1,4-dithian-2-yl]methyl]benzamide
CID 124609151
2-chloro-N-(1,4-dithian-2-ylmethyl)pyridine-3-carboxamide
CID 115687003
5-chloro-N-(1,4-dithian-2-ylmethyl)-2-fluorobenzamide
CID 115684594
4-(1,4-dithian-2-ylmethylamino)-2-methylbenzoic acid
CID 113489433
5-bromo-N-(1,4-dithian-2-ylmethyl)-2-hydroxybenzamide
CID 103741677
4-amino-N-(1,4-dithian-2-ylmethyl)-5-methylthiophene-2-carboxamide
CID 113489277
N-(1,4-dithian-2-ylmethyl)-1-hydroxynaphthalene-2-carboxamide
CID 115687797
N-(1,4-dithian-2-ylmethyl)-2-fluoro-4-hydroxybenzamide
CID 113355825

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dithian-2-ylmethyl)-4-(methylamino)benzamide?
The IUPAC name of N-(1,4-dithian-2-ylmethyl)-4-(methylamino)benzamide (CID 113489585) is N-(1,4-dithian-2-ylmethyl)-4-(methylamino)benzamide.
What is the SMILES notation for N-(1,4-dithian-2-ylmethyl)-4-(methylamino)benzamide?
The canonical SMILES for N-(1,4-dithian-2-ylmethyl)-4-(methylamino)benzamide is CNc1ccc(C(=O)NCC2CSCCS2)cc1.
What is the InChIKey of N-(1,4-dithian-2-ylmethyl)-4-(methylamino)benzamide?
The InChIKey is PPDORSAYNWHQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS2/c1-14-11-4-2-10(3-5-11)13(16)15-8-12-9-17-6-7-18-12/h2-5,12,14H,6-9H2,1H3,(H,15,16).
What are the key properties of N-(1,4-dithian-2-ylmethyl)-4-(methylamino)benzamide?
N-(1,4-dithian-2-ylmethyl)-4-(methylamino)benzamide has a molecular weight of 282.43 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dithian-2-ylmethyl)-4-(methylamino)benzamide is sourced from PubChem (CID 113489585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).