1-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-(methylamino)piperidin-2-one

C11H22N2O2S — CID 106248107

IUPAC1-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-(methylamino)piperidin-2-one
SMILESCNC1CCCN(CC(C)(O)CSC)C1=O
InChIInChI=1S/C11H22N2O2S/c1-11(15,8-16-3)7-13-6-4-5-9(12-2)10(13)14/h9,12,15H,4-8H2,1-3H3
InChIKeyLAVALBYFLZBINL-UHFFFAOYSA-N
MW246.38 g/mol
LogP0.31
Rot. Bonds5

About 1-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-(methylamino)piperidin-2-one

1-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-(methylamino)piperidin-2-one (PubChem CID 106248107) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 1-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-(methylamino)piperidin-2-one.

Molecular Properties

Compound Name1-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-(methylamino)piperidin-2-one
PubChem CID106248107
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC Name1-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-(methylamino)piperidin-2-one
SMILESCNC1CCCN(CC(C)(O)CSC)C1=O
InChIInChI=1S/C11H22N2O2S/c1-11(15,8-16-3)7-13-6-4-5-9(12-2)10(13)14/h9,12,15H,4-8H2,1-3H3
InChIKeyLAVALBYFLZBINL-UHFFFAOYSA-N
XLogP0.31
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-hydroxy-2,4-dimethylpentyl)-3-(methylamino)piperidin-2-one
CID 66173488
2,2-dimethyl-3-[3-(methylamino)-2-oxopiperidin-1-yl]propanamide
CID 106277942
3-(ethylamino)-1-(2-hydroxy-2-methylbutyl)piperidin-2-one
CID 65112678
3-(cyclopropylamino)-1-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]piperidin-2-one
CID 106149590
(3S)-3-(methylamino)-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-2-one
CID 142158964
3-(methylamino)-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-2-one
CID 106432536
2-[(3S)-3-(methylamino)-2-oxoazepan-1-yl]acetic acid
CID 66806132
1-(cycloheptylmethyl)-3-(methylamino)azepan-2-one
CID 22984797
1-(4-hydroxypentyl)-3-(methylamino)piperidin-2-one
CID 106137678
(3S)-1-benzyl-3-(methylamino)azepan-2-one
CID 58168871
1-[[1-(dimethylamino)cyclopentyl]methyl]-3-(methylamino)piperidin-2-one
CID 83114919
1-[(2-ethylphenyl)methyl]-3-(methylamino)piperidin-2-one
CID 64695618

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-(methylamino)piperidin-2-one?
The IUPAC name of 1-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-(methylamino)piperidin-2-one (CID 106248107) is 1-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-(methylamino)piperidin-2-one.
What is the SMILES notation for 1-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-(methylamino)piperidin-2-one?
The canonical SMILES for 1-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-(methylamino)piperidin-2-one is CNC1CCCN(CC(C)(O)CSC)C1=O.
What is the InChIKey of 1-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-(methylamino)piperidin-2-one?
The InChIKey is LAVALBYFLZBINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S/c1-11(15,8-16-3)7-13-6-4-5-9(12-2)10(13)14/h9,12,15H,4-8H2,1-3H3.
What are the key properties of 1-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-(methylamino)piperidin-2-one?
1-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-(methylamino)piperidin-2-one has a molecular weight of 246.38 g/mol, XLogP of 0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-(methylamino)piperidin-2-one is sourced from PubChem (CID 106248107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).