2-[2-amino-2-(2-methoxyphenyl)ethyl]sulfinyl-N-methylacetamide

C12H18N2O3S — CID 114232067

IUPAC2-[2-amino-2-(2-methoxyphenyl)ethyl]sulfinyl-N-methylacetamide
SMILESCNC(=O)CS(=O)CC(N)c1ccccc1OC
InChIInChI=1S/C12H18N2O3S/c1-14-12(15)8-18(16)7-10(13)9-5-3-4-6-11(9)17-2/h3-6,10H,7-8,13H2,1-2H3,(H,14,15)
InChIKeyLVSIKKFBUGILRC-UHFFFAOYSA-N
MW270.35 g/mol
LogP0.19
Rot. Bonds6

About 2-[2-amino-2-(2-methoxyphenyl)ethyl]sulfinyl-N-methylacetamide

2-[2-amino-2-(2-methoxyphenyl)ethyl]sulfinyl-N-methylacetamide (PubChem CID 114232067) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 2-[2-amino-2-(2-methoxyphenyl)ethyl]sulfinyl-N-methylacetamide.

Molecular Properties

Compound Name2-[2-amino-2-(2-methoxyphenyl)ethyl]sulfinyl-N-methylacetamide
PubChem CID114232067
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name2-[2-amino-2-(2-methoxyphenyl)ethyl]sulfinyl-N-methylacetamide
SMILESCNC(=O)CS(=O)CC(N)c1ccccc1OC
InChIInChI=1S/C12H18N2O3S/c1-14-12(15)8-18(16)7-10(13)9-5-3-4-6-11(9)17-2/h3-6,10H,7-8,13H2,1-2H3,(H,14,15)
InChIKeyLVSIKKFBUGILRC-UHFFFAOYSA-N
XLogP0.19
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxyphenyl)-2-propylsulfinylethanamine
CID 64652580
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1-(2-methoxyphenyl)-2-(3-methylbutan-2-ylsulfinyl)ethanamine
CID 107759587
3-cyano-3-(2-methoxyphenyl)-N-methylpropanamide
CID 82127316
3-amino-3-(2-methoxyphenyl)-N',N'-dimethylpropanehydrazide
CID 116850073
2-amino-2-(2-methoxyphenyl)ethanol
CID 10352062
ethyl (3S)-3-amino-3-(2-methoxyphenyl)propanoate;hydrochloride
CID 171220006
(1S)-1-(2-methoxyphenyl)ethane-1,2-diamine
CID 51699599
2-(2-methoxyphenyl)-5-(methylamino)-5-oxopentanoic acid
CID 112516272
4-[2-(1-aminopropyl)phenoxy]-N-methylbutanamide
CID 63890939
(1R)-1-(2-methoxyphenyl)propan-1-amine;hydrochloride
CID 53484779
(1S)-1-(2-methoxyphenyl)propane-1,3-diamine
CID 171219974

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-2-(2-methoxyphenyl)ethyl]sulfinyl-N-methylacetamide?
The IUPAC name of 2-[2-amino-2-(2-methoxyphenyl)ethyl]sulfinyl-N-methylacetamide (CID 114232067) is 2-[2-amino-2-(2-methoxyphenyl)ethyl]sulfinyl-N-methylacetamide.
What is the SMILES notation for 2-[2-amino-2-(2-methoxyphenyl)ethyl]sulfinyl-N-methylacetamide?
The canonical SMILES for 2-[2-amino-2-(2-methoxyphenyl)ethyl]sulfinyl-N-methylacetamide is CNC(=O)CS(=O)CC(N)c1ccccc1OC.
What is the InChIKey of 2-[2-amino-2-(2-methoxyphenyl)ethyl]sulfinyl-N-methylacetamide?
The InChIKey is LVSIKKFBUGILRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-14-12(15)8-18(16)7-10(13)9-5-3-4-6-11(9)17-2/h3-6,10H,7-8,13H2,1-2H3,(H,14,15).
What are the key properties of 2-[2-amino-2-(2-methoxyphenyl)ethyl]sulfinyl-N-methylacetamide?
2-[2-amino-2-(2-methoxyphenyl)ethyl]sulfinyl-N-methylacetamide has a molecular weight of 270.35 g/mol, XLogP of 0.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-2-(2-methoxyphenyl)ethyl]sulfinyl-N-methylacetamide is sourced from PubChem (CID 114232067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).