2-amino-N,5-dimethyl-N-(1-methylsulfanylpropan-2-yl)benzamide

C13H20N2OS — CID 112656503

IUPAC2-amino-N,5-dimethyl-N-(1-methylsulfanylpropan-2-yl)benzamide
SMILESCSCC(C)N(C)C(=O)c1cc(C)ccc1N
InChIInChI=1S/C13H20N2OS/c1-9-5-6-12(14)11(7-9)13(16)15(3)10(2)8-17-4/h5-7,10H,8,14H2,1-4H3
InChIKeyORITWRFZYOWPAM-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.40
Rot. Bonds4

About 2-amino-N,5-dimethyl-N-(1-methylsulfanylpropan-2-yl)benzamide

2-amino-N,5-dimethyl-N-(1-methylsulfanylpropan-2-yl)benzamide (PubChem CID 112656503) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 2-amino-N,5-dimethyl-N-(1-methylsulfanylpropan-2-yl)benzamide.

Molecular Properties

Compound Name2-amino-N,5-dimethyl-N-(1-methylsulfanylpropan-2-yl)benzamide
PubChem CID112656503
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name2-amino-N,5-dimethyl-N-(1-methylsulfanylpropan-2-yl)benzamide
SMILESCSCC(C)N(C)C(=O)c1cc(C)ccc1N
InChIInChI=1S/C13H20N2OS/c1-9-5-6-12(14)11(7-9)13(16)15(3)10(2)8-17-4/h5-7,10H,8,14H2,1-4H3
InChIKeyORITWRFZYOWPAM-UHFFFAOYSA-N
XLogP2.40
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(ethylamino)-N,5-dimethyl-N-(1-methylsulfanylpropan-2-yl)benzamide
CID 112664232
2-amino-N,5-dimethyl-N-(3-methylbutan-2-yl)benzamide
CID 62510545
N,4-dimethyl-2-(methylamino)-N-(1-methylsulfanylpropan-2-yl)benzamide
CID 112664234
2-(ethylamino)-N,4-dimethyl-N-(1-methylsulfanylpropan-2-yl)benzamide
CID 112664227
3-amino-N,4-dimethyl-N-(1-methylsulfanylpropan-2-yl)benzamide
CID 112701900
3-amino-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyridine-4-carboxamide
CID 105071045
2-amino-N-[2-(dimethylamino)propyl]-5-methylbenzamide
CID 62508707
4-fluoro-2-hydroxy-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide
CID 113346483
2-amino-N-[1-(2-chlorophenyl)ethyl]-N,5-dimethylbenzamide
CID 62980696
2-amino-5-methyl-N,N-dipropylbenzamide
CID 62073624
2-amino-N,5-dimethyl-N-(2-methylbutan-2-yl)benzamide
CID 63962505
2-amino-5-hydroxy-N-methyl-N-(4-methylpentan-2-yl)benzamide
CID 107074456

Frequently Asked Questions

What is the IUPAC name of 2-amino-N,5-dimethyl-N-(1-methylsulfanylpropan-2-yl)benzamide?
The IUPAC name of 2-amino-N,5-dimethyl-N-(1-methylsulfanylpropan-2-yl)benzamide (CID 112656503) is 2-amino-N,5-dimethyl-N-(1-methylsulfanylpropan-2-yl)benzamide.
What is the SMILES notation for 2-amino-N,5-dimethyl-N-(1-methylsulfanylpropan-2-yl)benzamide?
The canonical SMILES for 2-amino-N,5-dimethyl-N-(1-methylsulfanylpropan-2-yl)benzamide is CSCC(C)N(C)C(=O)c1cc(C)ccc1N.
What is the InChIKey of 2-amino-N,5-dimethyl-N-(1-methylsulfanylpropan-2-yl)benzamide?
The InChIKey is ORITWRFZYOWPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-9-5-6-12(14)11(7-9)13(16)15(3)10(2)8-17-4/h5-7,10H,8,14H2,1-4H3.
What are the key properties of 2-amino-N,5-dimethyl-N-(1-methylsulfanylpropan-2-yl)benzamide?
2-amino-N,5-dimethyl-N-(1-methylsulfanylpropan-2-yl)benzamide has a molecular weight of 252.38 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,5-dimethyl-N-(1-methylsulfanylpropan-2-yl)benzamide is sourced from PubChem (CID 112656503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).