N-(2-hydroxy-2-methylpropyl)-N-methyl-3-phenylsulfanylpropanamide

C14H21NO2S — CID 79291613

IUPACN-(2-hydroxy-2-methylpropyl)-N-methyl-3-phenylsulfanylpropanamide
SMILESCN(CC(C)(C)O)C(=O)CCSc1ccccc1
InChIInChI=1S/C14H21NO2S/c1-14(2,17)11-15(3)13(16)9-10-18-12-7-5-4-6-8-12/h4-8,17H,9-11H2,1-3H3
InChIKeyPBPUJGMLTPGFJN-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.40
Rot. Bonds6

About N-(2-hydroxy-2-methylpropyl)-N-methyl-3-phenylsulfanylpropanamide

N-(2-hydroxy-2-methylpropyl)-N-methyl-3-phenylsulfanylpropanamide (PubChem CID 79291613) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpropyl)-N-methyl-3-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpropyl)-N-methyl-3-phenylsulfanylpropanamide
PubChem CID79291613
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC NameN-(2-hydroxy-2-methylpropyl)-N-methyl-3-phenylsulfanylpropanamide
SMILESCN(CC(C)(C)O)C(=O)CCSc1ccccc1
InChIInChI=1S/C14H21NO2S/c1-14(2,17)11-15(3)13(16)9-10-18-12-7-5-4-6-8-12/h4-8,17H,9-11H2,1-3H3
InChIKeyPBPUJGMLTPGFJN-UHFFFAOYSA-N
XLogP2.40
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxypropyl)-N-methyl-3-phenylsulfanylpropanamide
CID 62335552
N-[(2-methoxyphenyl)methyl]-N-methyl-3-phenylsulfanylpropanamide
CID 46778454
3-[tert-butyl(3-phenylsulfanylpropanoyl)amino]propanoic acid
CID 60826967
N-benzyl-3-(4-fluorophenyl)sulfanyl-N-methylpropanamide
CID 112760111
N,N-dimethyl-4-phenylsulfanylbutanamide
CID 13123143
N-ethyl-N-phenyl-3-phenylsulfanylpropanamide
CID 132965267
1,5-bis(phenylsulfanyl)pentan-3-one
CID 14244732
N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide
CID 13214665
2-[3-(4-chlorophenyl)sulfanylpropanoyl-methylamino]acetic acid
CID 43092152
N-(2-hydroxy-2-methylpropyl)-N-methyl-3-pyridin-2-ylpropanamide
CID 79602844
2,2-dimethyl-4-phenylsulfanylbutanamide
CID 142130509
2-methyl-2-[methyl(2-phenylsulfanylethyl)amino]propanoic acid
CID 79228537

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpropyl)-N-methyl-3-phenylsulfanylpropanamide?
The IUPAC name of N-(2-hydroxy-2-methylpropyl)-N-methyl-3-phenylsulfanylpropanamide (CID 79291613) is N-(2-hydroxy-2-methylpropyl)-N-methyl-3-phenylsulfanylpropanamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpropyl)-N-methyl-3-phenylsulfanylpropanamide?
The canonical SMILES for N-(2-hydroxy-2-methylpropyl)-N-methyl-3-phenylsulfanylpropanamide is CN(CC(C)(C)O)C(=O)CCSc1ccccc1.
What is the InChIKey of N-(2-hydroxy-2-methylpropyl)-N-methyl-3-phenylsulfanylpropanamide?
The InChIKey is PBPUJGMLTPGFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-14(2,17)11-15(3)13(16)9-10-18-12-7-5-4-6-8-12/h4-8,17H,9-11H2,1-3H3.
What are the key properties of N-(2-hydroxy-2-methylpropyl)-N-methyl-3-phenylsulfanylpropanamide?
N-(2-hydroxy-2-methylpropyl)-N-methyl-3-phenylsulfanylpropanamide has a molecular weight of 267.39 g/mol, XLogP of 2.40, 6 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-3-phenylsulfanylpropanamide is sourced from PubChem (CID 79291613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).