3-methyl-1-(5-methylthiolan-3-yl)piperidin-4-one

C11H19NOS — CID 130899222

IUPAC3-methyl-1-(5-methylthiolan-3-yl)piperidin-4-one
SMILESCC1CC(N2CCC(=O)C(C)C2)CS1
InChIInChI=1S/C11H19NOS/c1-8-6-12(4-3-11(8)13)10-5-9(2)14-7-10/h8-10H,3-7H2,1-2H3
InChIKeyNKDXOUSWVFASLW-UHFFFAOYSA-N
MW213.35 g/mol
LogP1.79
Rot. Bonds1

About 3-methyl-1-(5-methylthiolan-3-yl)piperidin-4-one

3-methyl-1-(5-methylthiolan-3-yl)piperidin-4-one (PubChem CID 130899222) has the molecular formula C11H19NOS and a molecular weight of 213.35 g/mol. Its IUPAC name is 3-methyl-1-(5-methylthiolan-3-yl)piperidin-4-one.

Molecular Properties

Compound Name3-methyl-1-(5-methylthiolan-3-yl)piperidin-4-one
PubChem CID130899222
Molecular FormulaC11H19NOS
Molecular Weight213.35 g/mol
Exact Mass213.12
IUPAC Name3-methyl-1-(5-methylthiolan-3-yl)piperidin-4-one
SMILESCC1CC(N2CCC(=O)C(C)C2)CS1
InChIInChI=1S/C11H19NOS/c1-8-6-12(4-3-11(8)13)10-5-9(2)14-7-10/h8-10H,3-7H2,1-2H3
InChIKeyNKDXOUSWVFASLW-UHFFFAOYSA-N
XLogP1.79
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethyloxolan-3-yl)-3-methylpiperidin-4-one
CID 130964873
3-methyl-1-(3-oxocyclohexyl)piperidin-4-one
CID 114501314
1-(3-ethylcyclohexyl)-3-methylpiperidin-4-one
CID 64741839
1-(3-methoxycyclohexyl)-3-methylpiperidin-4-one
CID 114500280
1-(2,4-dimethylcyclohexyl)-3-methylpiperidin-4-one
CID 63996285
2-(3-methyl-4-oxopiperidin-1-yl)cyclobutane-1-carboxylic acid
CID 114501164
1-(2-hydroxycycloheptyl)-3-methylpiperidin-4-one
CID 114500475
1-(5-methylthiolan-3-yl)piperidin-4-amine
CID 79950607
6-methyl-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-one
CID 69483483
3-amino-1-(5-methylthiolan-3-yl)piperidin-2-one
CID 131062299
1-(2-hydroxy-2-methylcyclopentyl)-3-methylpiperidin-4-one
CID 130532303
3-(3-methyl-4-oxopiperidin-1-yl)azepan-2-one
CID 114500316

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(5-methylthiolan-3-yl)piperidin-4-one?
The IUPAC name of 3-methyl-1-(5-methylthiolan-3-yl)piperidin-4-one (CID 130899222) is 3-methyl-1-(5-methylthiolan-3-yl)piperidin-4-one.
What is the SMILES notation for 3-methyl-1-(5-methylthiolan-3-yl)piperidin-4-one?
The canonical SMILES for 3-methyl-1-(5-methylthiolan-3-yl)piperidin-4-one is CC1CC(N2CCC(=O)C(C)C2)CS1.
What is the InChIKey of 3-methyl-1-(5-methylthiolan-3-yl)piperidin-4-one?
The InChIKey is NKDXOUSWVFASLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NOS/c1-8-6-12(4-3-11(8)13)10-5-9(2)14-7-10/h8-10H,3-7H2,1-2H3.
What are the key properties of 3-methyl-1-(5-methylthiolan-3-yl)piperidin-4-one?
3-methyl-1-(5-methylthiolan-3-yl)piperidin-4-one has a molecular weight of 213.35 g/mol, XLogP of 1.79, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(5-methylthiolan-3-yl)piperidin-4-one is sourced from PubChem (CID 130899222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).