N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-propan-2-ylsulfanylbenzamide

C16H26N2OS — CID 119655514

IUPACN-(3-amino-2,2-dimethylpropyl)-N-methyl-2-propan-2-ylsulfanylbenzamide
SMILESCC(C)Sc1ccccc1C(=O)N(C)CC(C)(C)CN
InChIInChI=1S/C16H26N2OS/c1-12(2)20-14-9-7-6-8-13(14)15(19)18(5)11-16(3,4)10-17/h6-9,12H,10-11,17H2,1-5H3
InChIKeyAXFDGBGQGWSTGB-UHFFFAOYSA-N
MW294.46 g/mol
LogP3.24
Rot. Bonds6

About N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-propan-2-ylsulfanylbenzamide

N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-propan-2-ylsulfanylbenzamide (PubChem CID 119655514) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-propan-2-ylsulfanylbenzamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-2-propan-2-ylsulfanylbenzamide
PubChem CID119655514
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-2-propan-2-ylsulfanylbenzamide
SMILESCC(C)Sc1ccccc1C(=O)N(C)CC(C)(C)CN
InChIInChI=1S/C16H26N2OS/c1-12(2)20-14-9-7-6-8-13(14)15(19)18(5)11-16(3,4)10-17/h6-9,12H,10-11,17H2,1-5H3
InChIKeyAXFDGBGQGWSTGB-UHFFFAOYSA-N
XLogP3.24
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-N,2-dimethylbenzamide
CID 79652872
N-(3-amino-2,2-dimethylpropyl)-2-(ethylsulfonylamino)-N-methylbenzamide
CID 119656314
N-(3-amino-2,2-dimethylpropyl)-N,2,3-trimethylbenzamide
CID 79652302
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide
CID 119654414
N-(3-amino-2,2-dimethylpropyl)-3-bromo-N,2-dimethylbenzamide
CID 79652685
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(propylsulfonylamino)benzamide;hydrochloride
CID 119652704
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(2-propylsulfonylphenyl)sulfanylpropanamide;hydrochloride
CID 119654069
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-phenylpropanamide
CID 114028856
N-(3-amino-2,2-dimethylpropyl)-2-[2-(dimethylamino)ethoxy]-N-methylbenzamide;dihydrochloride
CID 119653975
N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-propan-2-ylpyrimidine-5-carboxamide
CID 119653982
N-(3-amino-2,2-dimethylpropyl)-N,2,5-trimethylbenzamide
CID 79652780
N-(3-amino-2,2-dimethylpropyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 103807676

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-propan-2-ylsulfanylbenzamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-propan-2-ylsulfanylbenzamide (CID 119655514) is N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-propan-2-ylsulfanylbenzamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-propan-2-ylsulfanylbenzamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-propan-2-ylsulfanylbenzamide is CC(C)Sc1ccccc1C(=O)N(C)CC(C)(C)CN.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-propan-2-ylsulfanylbenzamide?
The InChIKey is AXFDGBGQGWSTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-12(2)20-14-9-7-6-8-13(14)15(19)18(5)11-16(3,4)10-17/h6-9,12H,10-11,17H2,1-5H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-propan-2-ylsulfanylbenzamide?
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-propan-2-ylsulfanylbenzamide has a molecular weight of 294.46 g/mol, XLogP of 3.24, 6 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-2-propan-2-ylsulfanylbenzamide is sourced from PubChem (CID 119655514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).