N-methyl-2-(oxolan-3-yl)-N-(2-phenylsulfanylethyl)acetamide

C15H21NO2S — CID 119069905

IUPACN-methyl-2-(oxolan-3-yl)-N-(2-phenylsulfanylethyl)acetamide
SMILESCN(CCSc1ccccc1)C(=O)CC1CCOC1
InChIInChI=1S/C15H21NO2S/c1-16(15(17)11-13-7-9-18-12-13)8-10-19-14-5-3-2-4-6-14/h2-6,13H,7-12H2,1H3
InChIKeyHNTIIWRDOCMZET-UHFFFAOYSA-N
MW279.40 g/mol
LogP2.66
Rot. Bonds6

About N-methyl-2-(oxolan-3-yl)-N-(2-phenylsulfanylethyl)acetamide

N-methyl-2-(oxolan-3-yl)-N-(2-phenylsulfanylethyl)acetamide (PubChem CID 119069905) has the molecular formula C15H21NO2S and a molecular weight of 279.40 g/mol. Its IUPAC name is N-methyl-2-(oxolan-3-yl)-N-(2-phenylsulfanylethyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-(oxolan-3-yl)-N-(2-phenylsulfanylethyl)acetamide
PubChem CID119069905
Molecular FormulaC15H21NO2S
Molecular Weight279.40 g/mol
Exact Mass279.13
IUPAC NameN-methyl-2-(oxolan-3-yl)-N-(2-phenylsulfanylethyl)acetamide
SMILESCN(CCSc1ccccc1)C(=O)CC1CCOC1
InChIInChI=1S/C15H21NO2S/c1-16(15(17)11-13-7-9-18-12-13)8-10-19-14-5-3-2-4-6-14/h2-6,13H,7-12H2,1H3
InChIKeyHNTIIWRDOCMZET-UHFFFAOYSA-N
XLogP2.66
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-[(3S)-oxolan-3-yl]-N-(2-phenylsulfanylethyl)acetamide
CID 126444596
N-methyl-N-[2-(4-methylphenyl)sulfanylethyl]-2-(oxan-4-yl)acetamide
CID 50960621
N-[(3-hydroxyphenyl)methyl]-N-methyl-2-[(3R)-oxolan-3-yl]acetamide
CID 125462794
N-methyl-N-(oxolan-3-ylmethyl)-2-phenylacetamide
CID 110875875
2-(oxolan-3-yl)-1-phenylethanone
CID 71757170
N-ethyl-N-[[(3R)-oxan-3-yl]methyl]-2-phenylsulfanylethanamine
CID 124751416
N,N-dimethyl-2-[methyl(2-phenylsulfanylethyl)amino]acetamide
CID 78962685
methyl (2S)-2-[benzyl-[2-[(3R)-oxolan-3-yl]acetyl]amino]propanoate
CID 124736388
N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-2-(oxolan-3-yl)acetamide
CID 131925768
N-[3-(2,5-dimethylphenoxy)propyl]-N-methyl-2-[(3R)-oxan-3-yl]acetamide
CID 126453786
N-[3-(2,5-dimethylphenoxy)propyl]-N-methyl-2-[(3S)-oxan-3-yl]acetamide
CID 126453785
N-methyl-5-(morpholine-4-carbonyl)-N-(2-phenylsulfanylethyl)piperidine-3-carboxamide
CID 156604820

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(oxolan-3-yl)-N-(2-phenylsulfanylethyl)acetamide?
The IUPAC name of N-methyl-2-(oxolan-3-yl)-N-(2-phenylsulfanylethyl)acetamide (CID 119069905) is N-methyl-2-(oxolan-3-yl)-N-(2-phenylsulfanylethyl)acetamide.
What is the SMILES notation for N-methyl-2-(oxolan-3-yl)-N-(2-phenylsulfanylethyl)acetamide?
The canonical SMILES for N-methyl-2-(oxolan-3-yl)-N-(2-phenylsulfanylethyl)acetamide is CN(CCSc1ccccc1)C(=O)CC1CCOC1.
What is the InChIKey of N-methyl-2-(oxolan-3-yl)-N-(2-phenylsulfanylethyl)acetamide?
The InChIKey is HNTIIWRDOCMZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2S/c1-16(15(17)11-13-7-9-18-12-13)8-10-19-14-5-3-2-4-6-14/h2-6,13H,7-12H2,1H3.
What are the key properties of N-methyl-2-(oxolan-3-yl)-N-(2-phenylsulfanylethyl)acetamide?
N-methyl-2-(oxolan-3-yl)-N-(2-phenylsulfanylethyl)acetamide has a molecular weight of 279.40 g/mol, XLogP of 2.66, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(oxolan-3-yl)-N-(2-phenylsulfanylethyl)acetamide is sourced from PubChem (CID 119069905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).