N-methyl-3-[(5-methylthiolan-3-yl)amino]benzamide

C13H18N2OS — CID 79942700

IUPACN-methyl-3-[(5-methylthiolan-3-yl)amino]benzamide
SMILESCNC(=O)c1cccc(NC2CSC(C)C2)c1
InChIInChI=1S/C13H18N2OS/c1-9-6-12(8-17-9)15-11-5-3-4-10(7-11)13(16)14-2/h3-5,7,9,12,15H,6,8H2,1-2H3,(H,14,16)
InChIKeyMTIZTDKCXIXUFW-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.35
Rot. Bonds3

About N-methyl-3-[(5-methylthiolan-3-yl)amino]benzamide

N-methyl-3-[(5-methylthiolan-3-yl)amino]benzamide (PubChem CID 79942700) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is N-methyl-3-[(5-methylthiolan-3-yl)amino]benzamide.

Molecular Properties

Compound NameN-methyl-3-[(5-methylthiolan-3-yl)amino]benzamide
PubChem CID79942700
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC NameN-methyl-3-[(5-methylthiolan-3-yl)amino]benzamide
SMILESCNC(=O)c1cccc(NC2CSC(C)C2)c1
InChIInChI=1S/C13H18N2OS/c1-9-6-12(8-17-9)15-11-5-3-4-10(7-11)13(16)14-2/h3-5,7,9,12,15H,6,8H2,1-2H3,(H,14,16)
InChIKeyMTIZTDKCXIXUFW-UHFFFAOYSA-N
XLogP2.35
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-3-(thian-3-ylamino)benzamide
CID 55129966
5-methyl-N-(3-methylsulfonylphenyl)thiolan-3-amine
CID 79942473
N-methyl-3-[(4-propan-2-ylcyclohexyl)amino]benzamide
CID 62702969
2-[3-[(5-methylthiolan-3-yl)amino]phenoxy]acetamide
CID 79941354
3-N,3-N-dimethyl-1-N-(5-methylthiolan-3-yl)benzene-1,3-diamine
CID 115376345
N-methyl-3-(spiro[4.5]decan-8-ylamino)benzamide
CID 114817145
N-ethyl-4-[(5-methylthiolan-3-yl)amino]benzamide
CID 79942728
3-[(3-methylcyclobutyl)amino]-N-propan-2-ylbenzamide
CID 104860210
N-[2-fluoro-5-[(5-methylthiolan-3-yl)amino]phenyl]acetamide
CID 79941370
N-cyclopropyl-3-(cyclopropylamino)benzamide
CID 103438850
1-N,4-N-bis[3-(methylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17233453
3-[(1,5-dimethylpyrrolidin-3-yl)amino]-N-propan-2-ylbenzamide
CID 81466811

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(5-methylthiolan-3-yl)amino]benzamide?
The IUPAC name of N-methyl-3-[(5-methylthiolan-3-yl)amino]benzamide (CID 79942700) is N-methyl-3-[(5-methylthiolan-3-yl)amino]benzamide.
What is the SMILES notation for N-methyl-3-[(5-methylthiolan-3-yl)amino]benzamide?
The canonical SMILES for N-methyl-3-[(5-methylthiolan-3-yl)amino]benzamide is CNC(=O)c1cccc(NC2CSC(C)C2)c1.
What is the InChIKey of N-methyl-3-[(5-methylthiolan-3-yl)amino]benzamide?
The InChIKey is MTIZTDKCXIXUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-9-6-12(8-17-9)15-11-5-3-4-10(7-11)13(16)14-2/h3-5,7,9,12,15H,6,8H2,1-2H3,(H,14,16).
What are the key properties of N-methyl-3-[(5-methylthiolan-3-yl)amino]benzamide?
N-methyl-3-[(5-methylthiolan-3-yl)amino]benzamide has a molecular weight of 250.37 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(5-methylthiolan-3-yl)amino]benzamide is sourced from PubChem (CID 79942700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).