2-amino-6-methyl-N-(3-methylsulfanylpropyl)benzamide

C12H18N2OS — CID 63980673

IUPAC2-amino-6-methyl-N-(3-methylsulfanylpropyl)benzamide
SMILESCSCCCNC(=O)c1c(C)cccc1N
InChIInChI=1S/C12H18N2OS/c1-9-5-3-6-10(13)11(9)12(15)14-7-4-8-16-2/h3,5-6H,4,7-8,13H2,1-2H3,(H,14,15)
InChIKeyZLLJEFPQEJEVHQ-UHFFFAOYSA-N
MW238.36 g/mol
LogP2.06
Rot. Bonds5

About 2-amino-6-methyl-N-(3-methylsulfanylpropyl)benzamide

2-amino-6-methyl-N-(3-methylsulfanylpropyl)benzamide (PubChem CID 63980673) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 2-amino-6-methyl-N-(3-methylsulfanylpropyl)benzamide.

Molecular Properties

Compound Name2-amino-6-methyl-N-(3-methylsulfanylpropyl)benzamide
PubChem CID63980673
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name2-amino-6-methyl-N-(3-methylsulfanylpropyl)benzamide
SMILESCSCCCNC(=O)c1c(C)cccc1N
InChIInChI=1S/C12H18N2OS/c1-9-5-3-6-10(13)11(9)12(15)14-7-4-8-16-2/h3,5-6H,4,7-8,13H2,1-2H3,(H,14,15)
InChIKeyZLLJEFPQEJEVHQ-UHFFFAOYSA-N
XLogP2.06
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(3-methoxypropyl)-6-methylbenzamide
CID 43153249
2-amino-6-methyl-N-(4-methylpentyl)benzamide
CID 61125190
2-amino-6-methyl-N-(7-methyloctyl)benzamide
CID 107814563
2-amino-N-(3-methylsulfanylpropyl)benzamide;hydrochloride
CID 119944236
2-amino-6-methyl-N-(2-prop-2-enylsulfanylethyl)benzamide
CID 106425056
2-amino-N-[3-(dimethylamino)-3-oxopropyl]-6-methylbenzamide
CID 61102735
2-amino-6-methylbenzohydrazide;ethane
CID 145125009
2-bromo-6-fluoro-N-(3-methylsulfanylpropyl)benzamide
CID 115679118
2-amino-6-methyl-N-(2-prop-2-enoxyethyl)benzamide
CID 114264552
4-amino-N-(3-methylsulfanylpropyl)benzamide
CID 63981762
2-amino-6-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 16782894
3-amino-N-(3-methylsulfanylpropyl)naphthalene-2-carboxamide
CID 63957570

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-methyl-N-(3-methylsulfanylpropyl)benzamide?
The IUPAC name of 2-amino-6-methyl-N-(3-methylsulfanylpropyl)benzamide (CID 63980673) is 2-amino-6-methyl-N-(3-methylsulfanylpropyl)benzamide.
What is the SMILES notation for 2-amino-6-methyl-N-(3-methylsulfanylpropyl)benzamide?
The canonical SMILES for 2-amino-6-methyl-N-(3-methylsulfanylpropyl)benzamide is CSCCCNC(=O)c1c(C)cccc1N.
What is the InChIKey of 2-amino-6-methyl-N-(3-methylsulfanylpropyl)benzamide?
The InChIKey is ZLLJEFPQEJEVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-9-5-3-6-10(13)11(9)12(15)14-7-4-8-16-2/h3,5-6H,4,7-8,13H2,1-2H3,(H,14,15).
What are the key properties of 2-amino-6-methyl-N-(3-methylsulfanylpropyl)benzamide?
2-amino-6-methyl-N-(3-methylsulfanylpropyl)benzamide has a molecular weight of 238.36 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-methyl-N-(3-methylsulfanylpropyl)benzamide is sourced from PubChem (CID 63980673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).