N-(2-hydroxy-2-methylpropyl)-N-methyl-4-methylsulfanylbenzamide

C13H19NO2S — CID 79384071

IUPACN-(2-hydroxy-2-methylpropyl)-N-methyl-4-methylsulfanylbenzamide
SMILESCSc1ccc(C(=O)N(C)CC(C)(C)O)cc1
InChIInChI=1S/C13H19NO2S/c1-13(2,16)9-14(3)12(15)10-5-7-11(17-4)8-6-10/h5-8,16H,9H2,1-4H3
InChIKeyADMHLFPEDWQJKI-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.25
Rot. Bonds4

About N-(2-hydroxy-2-methylpropyl)-N-methyl-4-methylsulfanylbenzamide

N-(2-hydroxy-2-methylpropyl)-N-methyl-4-methylsulfanylbenzamide (PubChem CID 79384071) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpropyl)-N-methyl-4-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpropyl)-N-methyl-4-methylsulfanylbenzamide
PubChem CID79384071
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC NameN-(2-hydroxy-2-methylpropyl)-N-methyl-4-methylsulfanylbenzamide
SMILESCSc1ccc(C(=O)N(C)CC(C)(C)O)cc1
InChIInChI=1S/C13H19NO2S/c1-13(2,16)9-14(3)12(15)10-5-7-11(17-4)8-6-10/h5-8,16H,9H2,1-4H3
InChIKeyADMHLFPEDWQJKI-UHFFFAOYSA-N
XLogP2.25
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-methylsulfanylbenzamide
CID 79651919
N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide
CID 13214665
4-(3-aminoprop-1-ynyl)-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide
CID 79385792
3-[methyl-(4-methylsulfanylbenzoyl)amino]propanoic acid
CID 60989458
N-(2-hydroxy-2-methylpropyl)-N-methyl-4-pyrrol-1-ylbenzamide
CID 79291124
4-(4-hydroxybut-1-ynyl)-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide
CID 79386026
N-benzyl-N-methyl-4-methylsulfanylbenzamide
CID 78791696
N-[2-(diethylamino)-2-oxoethyl]-N-methyl-4-methylsulfanylbenzamide
CID 78816760
N-(2-hydroxy-2-methylpropyl)-N-methyl-4-(2H-tetrazol-5-yl)benzamide
CID 79384598
N-(2-hydroxy-2-methylpropyl)-N-methyl-4-prop-2-enoxybenzamide
CID 79380554
N-(2-hydroxy-2-methylpropyl)-N-methyl-4-(2-methylpropoxy)benzamide
CID 79381593
3,5-diamino-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide
CID 79384757

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpropyl)-N-methyl-4-methylsulfanylbenzamide?
The IUPAC name of N-(2-hydroxy-2-methylpropyl)-N-methyl-4-methylsulfanylbenzamide (CID 79384071) is N-(2-hydroxy-2-methylpropyl)-N-methyl-4-methylsulfanylbenzamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpropyl)-N-methyl-4-methylsulfanylbenzamide?
The canonical SMILES for N-(2-hydroxy-2-methylpropyl)-N-methyl-4-methylsulfanylbenzamide is CSc1ccc(C(=O)N(C)CC(C)(C)O)cc1.
What is the InChIKey of N-(2-hydroxy-2-methylpropyl)-N-methyl-4-methylsulfanylbenzamide?
The InChIKey is ADMHLFPEDWQJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-13(2,16)9-14(3)12(15)10-5-7-11(17-4)8-6-10/h5-8,16H,9H2,1-4H3.
What are the key properties of N-(2-hydroxy-2-methylpropyl)-N-methyl-4-methylsulfanylbenzamide?
N-(2-hydroxy-2-methylpropyl)-N-methyl-4-methylsulfanylbenzamide has a molecular weight of 253.37 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpropyl)-N-methyl-4-methylsulfanylbenzamide is sourced from PubChem (CID 79384071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).