N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-methylsulfanylbenzamide

C14H22N2OS — CID 79651919

IUPACN-(3-amino-2,2-dimethylpropyl)-N-methyl-4-methylsulfanylbenzamide
SMILESCSc1ccc(C(=O)N(C)CC(C)(C)CN)cc1
InChIInChI=1S/C14H22N2OS/c1-14(2,9-15)10-16(3)13(17)11-5-7-12(18-4)8-6-11/h5-8H,9-10,15H2,1-4H3
InChIKeyWZKQJTWYRBTKHB-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.47
Rot. Bonds5

About N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-methylsulfanylbenzamide

N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-methylsulfanylbenzamide (PubChem CID 79651919) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-4-methylsulfanylbenzamide
PubChem CID79651919
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-4-methylsulfanylbenzamide
SMILESCSc1ccc(C(=O)N(C)CC(C)(C)CN)cc1
InChIInChI=1S/C14H22N2OS/c1-14(2,9-15)10-16(3)13(17)11-5-7-12(18-4)8-6-11/h5-8H,9-10,15H2,1-4H3
InChIKeyWZKQJTWYRBTKHB-UHFFFAOYSA-N
XLogP2.47
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-2-methylpropyl)-N-methyl-4-methylsulfanylbenzamide
CID 79384071
4-N-(3-amino-2,2-dimethylpropyl)-4-N-methylbenzene-1,4-dicarboxamide
CID 119656143
N-(3-amino-2,2-dimethylpropyl)-N-methylpyridine-4-carboxamide;dihydrochloride
CID 119653576
N-(3-amino-2,2-dimethylpropyl)-3-fluoro-4-iodo-N-methylbenzamide
CID 119656442
N-(3-amino-2,2-dimethylpropyl)-N-methyl-6-oxopyran-3-carboxamide
CID 79652485
N-(3-amino-2,2-dimethylpropyl)-N-methyl-6-oxo-1H-pyridine-3-carboxamide
CID 79652401
N-(3-amino-2,2-dimethylpropyl)-N,6-dimethylpyridine-3-carboxamide
CID 79652120
N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(sulfamoylmethyl)benzamide;hydrochloride
CID 119652729
N-(3-amino-2,2-dimethylpropyl)-4-(2-methoxyethoxy)-N-methylbenzamide
CID 119654669
N-(3-amino-2,2-dimethylpropyl)-3,5-dichloro-N-methylbenzamide
CID 79653062
3-N-(3-amino-2,2-dimethylpropyl)-1-N,1-N,3-N-trimethylbenzene-1,3-dicarboxamide;hydrochloride
CID 119657069
N-(3-amino-2,2-dimethylpropyl)-4-[2-(dimethylamino)-2-oxoethyl]sulfonyl-N-methylbenzamide
CID 119655900

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-methylsulfanylbenzamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-methylsulfanylbenzamide (CID 79651919) is N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-methylsulfanylbenzamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-methylsulfanylbenzamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-methylsulfanylbenzamide is CSc1ccc(C(=O)N(C)CC(C)(C)CN)cc1.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-methylsulfanylbenzamide?
The InChIKey is WZKQJTWYRBTKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-14(2,9-15)10-16(3)13(17)11-5-7-12(18-4)8-6-11/h5-8H,9-10,15H2,1-4H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-methylsulfanylbenzamide?
N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-methylsulfanylbenzamide has a molecular weight of 266.41 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-methylsulfanylbenzamide is sourced from PubChem (CID 79651919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).