methanol;2-methyl-1-(4-methylsulfanylpiperidin-1-yl)propan-1-one

C11H23NO2S — CID 145332389

IUPACmethanol;2-methyl-1-(4-methylsulfanylpiperidin-1-yl)propan-1-one
SMILESCO.CSC1CCN(C(=O)C(C)C)CC1
InChIInChI=1S/C10H19NOS.CH4O/c1-8(2)10(12)11-6-4-9(13-3)5-7-11;1-2/h8-9H,4-7H2,1-3H3;2H,1H3
InChIKeyOJGMPNVICRDDLY-UHFFFAOYSA-N
MW233.38 g/mol
LogP1.60
Rot. Bonds2

About methanol;2-methyl-1-(4-methylsulfanylpiperidin-1-yl)propan-1-one

methanol;2-methyl-1-(4-methylsulfanylpiperidin-1-yl)propan-1-one (PubChem CID 145332389) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is methanol;2-methyl-1-(4-methylsulfanylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Namemethanol;2-methyl-1-(4-methylsulfanylpiperidin-1-yl)propan-1-one
PubChem CID145332389
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC Namemethanol;2-methyl-1-(4-methylsulfanylpiperidin-1-yl)propan-1-one
SMILESCO.CSC1CCN(C(=O)C(C)C)CC1
InChIInChI=1S/C10H19NOS.CH4O/c1-8(2)10(12)11-6-4-9(13-3)5-7-11;1-2/h8-9H,4-7H2,1-3H3;2H,1H3
InChIKeyOJGMPNVICRDDLY-UHFFFAOYSA-N
XLogP1.60
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methanol;2-methyl-1-(4-methylsulfanylpiperidin-1-yl)propan-1-one?
The IUPAC name of methanol;2-methyl-1-(4-methylsulfanylpiperidin-1-yl)propan-1-one (CID 145332389) is methanol;2-methyl-1-(4-methylsulfanylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for methanol;2-methyl-1-(4-methylsulfanylpiperidin-1-yl)propan-1-one?
The canonical SMILES for methanol;2-methyl-1-(4-methylsulfanylpiperidin-1-yl)propan-1-one is CO.CSC1CCN(C(=O)C(C)C)CC1.
What is the InChIKey of methanol;2-methyl-1-(4-methylsulfanylpiperidin-1-yl)propan-1-one?
The InChIKey is OJGMPNVICRDDLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NOS.CH4O/c1-8(2)10(12)11-6-4-9(13-3)5-7-11;1-2/h8-9H,4-7H2,1-3H3;2H,1H3.
What are the key properties of methanol;2-methyl-1-(4-methylsulfanylpiperidin-1-yl)propan-1-one?
methanol;2-methyl-1-(4-methylsulfanylpiperidin-1-yl)propan-1-one has a molecular weight of 233.38 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;2-methyl-1-(4-methylsulfanylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 145332389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).