3-methyl-1-[methyl(1-methylsulfanylpropan-2-yl)amino]pentan-2-one

C11H23NOS — CID 112662186

IUPAC3-methyl-1-[methyl(1-methylsulfanylpropan-2-yl)amino]pentan-2-one
SMILESCCC(C)C(=O)CN(C)C(C)CSC
InChIInChI=1S/C11H23NOS/c1-6-9(2)11(13)7-12(4)10(3)8-14-5/h9-10H,6-8H2,1-5H3
InChIKeyRJAQNIXYHLPCHB-UHFFFAOYSA-N
MW217.38 g/mol
LogP2.28
Rot. Bonds7

About 3-methyl-1-[methyl(1-methylsulfanylpropan-2-yl)amino]pentan-2-one

3-methyl-1-[methyl(1-methylsulfanylpropan-2-yl)amino]pentan-2-one (PubChem CID 112662186) has the molecular formula C11H23NOS and a molecular weight of 217.38 g/mol. Its IUPAC name is 3-methyl-1-[methyl(1-methylsulfanylpropan-2-yl)amino]pentan-2-one.

Molecular Properties

Compound Name3-methyl-1-[methyl(1-methylsulfanylpropan-2-yl)amino]pentan-2-one
PubChem CID112662186
Molecular FormulaC11H23NOS
Molecular Weight217.38 g/mol
Exact Mass217.15
IUPAC Name3-methyl-1-[methyl(1-methylsulfanylpropan-2-yl)amino]pentan-2-one
SMILESCCC(C)C(=O)CN(C)C(C)CSC
InChIInChI=1S/C11H23NOS/c1-6-9(2)11(13)7-12(4)10(3)8-14-5/h9-10H,6-8H2,1-5H3
InChIKeyRJAQNIXYHLPCHB-UHFFFAOYSA-N
XLogP2.28
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.38
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[butan-2-yl(methyl)amino]-3-methylbutan-2-one
CID 79395639
4-[methyl(1-methylsulfanylpropan-2-yl)amino]butan-2-one
CID 112702867
N-(2-cyanoethyl)-N-methyl-2-[methyl(1-methylsulfanylpropan-2-yl)amino]acetamide
CID 112692197
2-methyl-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propanehydrazide
CID 112666689
N-methyl-N-(1-methylsulfanylpropan-2-yl)acetamide
CID 112692053
1-(2-chlorophenyl)-2-[methyl(1-methylsulfanylpropan-2-yl)amino]ethanone
CID 112662106
2-[methyl(1-methylsulfanylpropan-2-yl)amino]-1-(1-methylpyrrol-2-yl)ethanone
CID 112692203
2-[methyl(1-methylsulfanylpropan-2-yl)amino]butanoic acid
CID 112661600
2-[methyl(1-methylsulfanylpropan-2-yl)amino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 112697788
1-(3,4-difluorophenyl)-2-[methyl(1-methylsulfanylpropan-2-yl)amino]ethanone
CID 112662119
N,2-dimethyl-3-[methyl-(3-methyl-2-oxopentyl)amino]propanamide
CID 106916626
6-[methyl(1-methylsulfanylpropan-2-yl)amino]hexanoic acid
CID 112661582

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[methyl(1-methylsulfanylpropan-2-yl)amino]pentan-2-one?
The IUPAC name of 3-methyl-1-[methyl(1-methylsulfanylpropan-2-yl)amino]pentan-2-one (CID 112662186) is 3-methyl-1-[methyl(1-methylsulfanylpropan-2-yl)amino]pentan-2-one.
What is the SMILES notation for 3-methyl-1-[methyl(1-methylsulfanylpropan-2-yl)amino]pentan-2-one?
The canonical SMILES for 3-methyl-1-[methyl(1-methylsulfanylpropan-2-yl)amino]pentan-2-one is CCC(C)C(=O)CN(C)C(C)CSC.
What is the InChIKey of 3-methyl-1-[methyl(1-methylsulfanylpropan-2-yl)amino]pentan-2-one?
The InChIKey is RJAQNIXYHLPCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NOS/c1-6-9(2)11(13)7-12(4)10(3)8-14-5/h9-10H,6-8H2,1-5H3.
What are the key properties of 3-methyl-1-[methyl(1-methylsulfanylpropan-2-yl)amino]pentan-2-one?
3-methyl-1-[methyl(1-methylsulfanylpropan-2-yl)amino]pentan-2-one has a molecular weight of 217.38 g/mol, XLogP of 2.28, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[methyl(1-methylsulfanylpropan-2-yl)amino]pentan-2-one is sourced from PubChem (CID 112662186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).