N-benzyl-2-(2-hydroxyethylsulfinyl)-N-methylacetamide

C12H17NO3S — CID 123117282

IUPACN-benzyl-2-(2-hydroxyethylsulfinyl)-N-methylacetamide
SMILESCN(Cc1ccccc1)C(=O)CS(=O)CCO
InChIInChI=1S/C12H17NO3S/c1-13(9-11-5-3-2-4-6-11)12(15)10-17(16)8-7-14/h2-6,14H,7-10H2,1H3
InChIKeyKRCDAFCUELYIIS-UHFFFAOYSA-N
MW255.34 g/mol
LogP0.39
Rot. Bonds6

About N-benzyl-2-(2-hydroxyethylsulfinyl)-N-methylacetamide

N-benzyl-2-(2-hydroxyethylsulfinyl)-N-methylacetamide (PubChem CID 123117282) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is N-benzyl-2-(2-hydroxyethylsulfinyl)-N-methylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(2-hydroxyethylsulfinyl)-N-methylacetamide
PubChem CID123117282
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC NameN-benzyl-2-(2-hydroxyethylsulfinyl)-N-methylacetamide
SMILESCN(Cc1ccccc1)C(=O)CS(=O)CCO
InChIInChI=1S/C12H17NO3S/c1-13(9-11-5-3-2-4-6-11)12(15)10-17(16)8-7-14/h2-6,14H,7-10H2,1H3
InChIKeyKRCDAFCUELYIIS-UHFFFAOYSA-N
XLogP0.39
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N'-dibenzyl-N,N'-dimethylpropanediamide
CID 2392235
N-benzyl-2-(2-hydroxyethylsulfanyl)-N-methylacetamide
CID 43392395
N-benzyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-methylacetamide
CID 60645191
N-benzyl-2-[5-hydroxypentyl(methyl)amino]-N-methylacetamide
CID 107204340
N-benzyl-2-[N-(2-hydroxyethyl)anilino]-N-methylacetamide
CID 110877169
N-benzyl-N-methylpentanamide
CID 4629611
3-amino-N-benzyl-N,3-dimethylbutanamide
CID 64684536
N-methyl-2-phenyl-N-[(4-phenylphenyl)methyl]acetamide
CID 55580695
N-benzyl-N-methyl-2-[methyl(methylsulfonyl)amino]acetamide
CID 30464576
N-benzyl-N-methyl-2-(4-sulfanylphenyl)acetamide
CID 107020688
2-[2-[benzyl(methyl)amino]-2-oxoethyl]sulfonylacetic acid
CID 82180460
N-benzyl-N-methyl-2-pyrrolidin-1-ium-1-ylacetamide
CID 2112597

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2-hydroxyethylsulfinyl)-N-methylacetamide?
The IUPAC name of N-benzyl-2-(2-hydroxyethylsulfinyl)-N-methylacetamide (CID 123117282) is N-benzyl-2-(2-hydroxyethylsulfinyl)-N-methylacetamide.
What is the SMILES notation for N-benzyl-2-(2-hydroxyethylsulfinyl)-N-methylacetamide?
The canonical SMILES for N-benzyl-2-(2-hydroxyethylsulfinyl)-N-methylacetamide is CN(Cc1ccccc1)C(=O)CS(=O)CCO.
What is the InChIKey of N-benzyl-2-(2-hydroxyethylsulfinyl)-N-methylacetamide?
The InChIKey is KRCDAFCUELYIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-13(9-11-5-3-2-4-6-11)12(15)10-17(16)8-7-14/h2-6,14H,7-10H2,1H3.
What are the key properties of N-benzyl-2-(2-hydroxyethylsulfinyl)-N-methylacetamide?
N-benzyl-2-(2-hydroxyethylsulfinyl)-N-methylacetamide has a molecular weight of 255.34 g/mol, XLogP of 0.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(2-hydroxyethylsulfinyl)-N-methylacetamide is sourced from PubChem (CID 123117282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).