1-[4-methyl-4-(methylamino)piperidin-1-yl]-3-methylsulfanylpropan-1-one

C11H22N2OS — CID 115304384

IUPAC1-[4-methyl-4-(methylamino)piperidin-1-yl]-3-methylsulfanylpropan-1-one
SMILESCNC1(C)CCN(C(=O)CCSC)CC1
InChIInChI=1S/C11H22N2OS/c1-11(12-2)5-7-13(8-6-11)10(14)4-9-15-3/h12H,4-9H2,1-3H3
InChIKeyCWDDTBQNRLHIKN-UHFFFAOYSA-N
MW230.38 g/mol
LogP1.34
Rot. Bonds4

About 1-[4-methyl-4-(methylamino)piperidin-1-yl]-3-methylsulfanylpropan-1-one

1-[4-methyl-4-(methylamino)piperidin-1-yl]-3-methylsulfanylpropan-1-one (PubChem CID 115304384) has the molecular formula C11H22N2OS and a molecular weight of 230.38 g/mol. Its IUPAC name is 1-[4-methyl-4-(methylamino)piperidin-1-yl]-3-methylsulfanylpropan-1-one.

Molecular Properties

Compound Name1-[4-methyl-4-(methylamino)piperidin-1-yl]-3-methylsulfanylpropan-1-one
PubChem CID115304384
Molecular FormulaC11H22N2OS
Molecular Weight230.38 g/mol
Exact Mass230.15
IUPAC Name1-[4-methyl-4-(methylamino)piperidin-1-yl]-3-methylsulfanylpropan-1-one
SMILESCNC1(C)CCN(C(=O)CCSC)CC1
InChIInChI=1S/C11H22N2OS/c1-11(12-2)5-7-13(8-6-11)10(14)4-9-15-3/h12H,4-9H2,1-3H3
InChIKeyCWDDTBQNRLHIKN-UHFFFAOYSA-N
XLogP1.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-methyl-4-(methylamino)piperidin-1-yl]hexan-1-one
CID 115304579
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-methylsulfanylpropan-1-one
CID 112725542
2-cyclopentyl-1-[4-methyl-4-(methylamino)piperidin-1-yl]ethanone
CID 115304327
2-cyclobutyl-1-[4-methyl-4-(methylamino)piperidin-1-yl]ethanone
CID 103165081
1-[4-methyl-4-(methylamino)piperidin-1-yl]-3-phenoxypropan-1-one
CID 115304623
3-methoxy-3-methyl-1-[4-methyl-4-(methylamino)piperidin-1-yl]butan-1-one
CID 103021618
1-(azepan-1-yl)-2-[4-methyl-4-(methylamino)piperidin-1-yl]ethanone
CID 115304923
1-[3-(methylamino)pyrrolidin-1-yl]-3-methylsulfanylpropan-1-one
CID 81466966
2-(4-hydroxyphenyl)-1-[4-methyl-4-(methylamino)piperidin-1-yl]ethanone
CID 115304431
1-[4-methyl-4-(methylamino)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 115304597
1-[4-methyl-4-(methylamino)piperidin-1-yl]-2-(2-methylphenyl)ethanone
CID 115304493
3-methylsulfanyl-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propan-1-one
CID 9117242

Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-4-(methylamino)piperidin-1-yl]-3-methylsulfanylpropan-1-one?
The IUPAC name of 1-[4-methyl-4-(methylamino)piperidin-1-yl]-3-methylsulfanylpropan-1-one (CID 115304384) is 1-[4-methyl-4-(methylamino)piperidin-1-yl]-3-methylsulfanylpropan-1-one.
What is the SMILES notation for 1-[4-methyl-4-(methylamino)piperidin-1-yl]-3-methylsulfanylpropan-1-one?
The canonical SMILES for 1-[4-methyl-4-(methylamino)piperidin-1-yl]-3-methylsulfanylpropan-1-one is CNC1(C)CCN(C(=O)CCSC)CC1.
What is the InChIKey of 1-[4-methyl-4-(methylamino)piperidin-1-yl]-3-methylsulfanylpropan-1-one?
The InChIKey is CWDDTBQNRLHIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2OS/c1-11(12-2)5-7-13(8-6-11)10(14)4-9-15-3/h12H,4-9H2,1-3H3.
What are the key properties of 1-[4-methyl-4-(methylamino)piperidin-1-yl]-3-methylsulfanylpropan-1-one?
1-[4-methyl-4-(methylamino)piperidin-1-yl]-3-methylsulfanylpropan-1-one has a molecular weight of 230.38 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-4-(methylamino)piperidin-1-yl]-3-methylsulfanylpropan-1-one is sourced from PubChem (CID 115304384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).