N-methyl-3-(thian-3-ylamino)benzamide

C13H18N2OS — CID 55129966

IUPACN-methyl-3-(thian-3-ylamino)benzamide
SMILESCNC(=O)c1cccc(NC2CCCSC2)c1
InChIInChI=1S/C13H18N2OS/c1-14-13(16)10-4-2-5-11(8-10)15-12-6-3-7-17-9-12/h2,4-5,8,12,15H,3,6-7,9H2,1H3,(H,14,16)
InChIKeyYYOOAAOVDGXMFX-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.35
Rot. Bonds3

About N-methyl-3-(thian-3-ylamino)benzamide

N-methyl-3-(thian-3-ylamino)benzamide (PubChem CID 55129966) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is N-methyl-3-(thian-3-ylamino)benzamide.

Molecular Properties

Compound NameN-methyl-3-(thian-3-ylamino)benzamide
PubChem CID55129966
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC NameN-methyl-3-(thian-3-ylamino)benzamide
SMILESCNC(=O)c1cccc(NC2CCCSC2)c1
InChIInChI=1S/C13H18N2OS/c1-14-13(16)10-4-2-5-11(8-10)15-12-6-3-7-17-9-12/h2,4-5,8,12,15H,3,6-7,9H2,1H3,(H,14,16)
InChIKeyYYOOAAOVDGXMFX-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-[(5-methylthiolan-3-yl)amino]benzamide
CID 79942700
N-methyl-3-(thian-3-ylamino)benzenesulfonamide
CID 62871608
N-methyl-3-(spiro[4.5]decan-8-ylamino)benzamide
CID 114817145
N-methyl-3-[(4-propan-2-ylcyclohexyl)amino]benzamide
CID 62702969
N-methyl-3-(thiolan-3-ylmethylamino)benzamide
CID 107131272
3-[3-(thian-3-ylamino)phenyl]propanoic acid
CID 122044536
3-(cycloheptylamino)-N-propan-2-ylbenzamide
CID 43693920
N-(3-ethylsulfanylphenyl)thian-3-amine
CID 115885089
(3R)-N-(3,4-dimethylphenyl)thian-3-amine
CID 94885650
3-(cyclohexylamino)-N,N-dimethylbenzamide
CID 43725453
N-cyclopropyl-3-(cyclopropylamino)benzamide
CID 103438850
3-[[2-(cyclohexylamino)acetyl]amino]-N-methylbenzamide
CID 54816300

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(thian-3-ylamino)benzamide?
The IUPAC name of N-methyl-3-(thian-3-ylamino)benzamide (CID 55129966) is N-methyl-3-(thian-3-ylamino)benzamide.
What is the SMILES notation for N-methyl-3-(thian-3-ylamino)benzamide?
The canonical SMILES for N-methyl-3-(thian-3-ylamino)benzamide is CNC(=O)c1cccc(NC2CCCSC2)c1.
What is the InChIKey of N-methyl-3-(thian-3-ylamino)benzamide?
The InChIKey is YYOOAAOVDGXMFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-14-13(16)10-4-2-5-11(8-10)15-12-6-3-7-17-9-12/h2,4-5,8,12,15H,3,6-7,9H2,1H3,(H,14,16).
What are the key properties of N-methyl-3-(thian-3-ylamino)benzamide?
N-methyl-3-(thian-3-ylamino)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-(thian-3-ylamino)benzamide is sourced from PubChem (CID 55129966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).