1-[methyl(2-methylsulfinylethyl)amino]propan-2-one

C7H15NO2S — CID 126702352

IUPAC1-[methyl(2-methylsulfinylethyl)amino]propan-2-one
SMILESCC(=O)CN(C)CCS(C)=O
InChIInChI=1S/C7H15NO2S/c1-7(9)6-8(2)4-5-11(3)10/h4-6H2,1-3H3
InChIKeyMUGQDXMGIVFPNS-UHFFFAOYSA-N
MW177.27 g/mol
LogP-0.11
Rot. Bonds5

About 1-[methyl(2-methylsulfinylethyl)amino]propan-2-one

1-[methyl(2-methylsulfinylethyl)amino]propan-2-one (PubChem CID 126702352) has the molecular formula C7H15NO2S and a molecular weight of 177.27 g/mol. Its IUPAC name is 1-[methyl(2-methylsulfinylethyl)amino]propan-2-one.

Molecular Properties

Compound Name1-[methyl(2-methylsulfinylethyl)amino]propan-2-one
PubChem CID126702352
Molecular FormulaC7H15NO2S
Molecular Weight177.27 g/mol
Exact Mass177.08
IUPAC Name1-[methyl(2-methylsulfinylethyl)amino]propan-2-one
SMILESCC(=O)CN(C)CCS(C)=O
InChIInChI=1S/C7H15NO2S/c1-7(9)6-8(2)4-5-11(3)10/h4-6H2,1-3H3
InChIKeyMUGQDXMGIVFPNS-UHFFFAOYSA-N
XLogP-0.11
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 5-0.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[butyl(methyl)amino]propan-2-one
CID 43219631
ethane;1-[ethyl(methyl)amino]propan-2-one
CID 142250702
1-[5-hydroxypentyl(methyl)amino]propan-2-one
CID 107201025
1-[5-aminopentyl(methyl)amino]propan-2-one
CID 58052223
1,3-dimethyl-1-(2-methylsulfinylethyl)urea
CID 131227779
1-[methyl-[2-(oxan-4-yl)ethyl]amino]propan-2-one
CID 115235227
2-[2-[methyl(2-oxopropyl)amino]ethyl-propylamino]acetic acid
CID 156737158
N-methyl-N-(4-methylsulfinylbutyl)thiohydroxylamine
CID 89419803
N,N-diethyl-2-methylsulfinylethanamine
CID 123113037
2-[(2-amino-2-oxoethyl)-methylamino]ethyl hydrogen sulfite
CID 57057527
1-[2-(2-bromophenyl)ethyl-methylamino]propan-2-one
CID 115235229
2-[2-(dimethylamino)ethyl-methylamino]acetamide
CID 23154890

Frequently Asked Questions

What is the IUPAC name of 1-[methyl(2-methylsulfinylethyl)amino]propan-2-one?
The IUPAC name of 1-[methyl(2-methylsulfinylethyl)amino]propan-2-one (CID 126702352) is 1-[methyl(2-methylsulfinylethyl)amino]propan-2-one.
What is the SMILES notation for 1-[methyl(2-methylsulfinylethyl)amino]propan-2-one?
The canonical SMILES for 1-[methyl(2-methylsulfinylethyl)amino]propan-2-one is CC(=O)CN(C)CCS(C)=O.
What is the InChIKey of 1-[methyl(2-methylsulfinylethyl)amino]propan-2-one?
The InChIKey is MUGQDXMGIVFPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2S/c1-7(9)6-8(2)4-5-11(3)10/h4-6H2,1-3H3.
What are the key properties of 1-[methyl(2-methylsulfinylethyl)amino]propan-2-one?
1-[methyl(2-methylsulfinylethyl)amino]propan-2-one has a molecular weight of 177.27 g/mol, XLogP of -0.11, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(2-methylsulfinylethyl)amino]propan-2-one is sourced from PubChem (CID 126702352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).