4-(1-methylsulfonylpropyl)piperidin-2-one

C9H17NO3S — CID 173160832

IUPAC4-(1-methylsulfonylpropyl)piperidin-2-one
SMILESCCC(C1CCNC(=O)C1)S(C)(=O)=O
InChIInChI=1S/C9H17NO3S/c1-3-8(14(2,12)13)7-4-5-10-9(11)6-7/h7-8H,3-6H2,1-2H3,(H,10,11)
InChIKeyQJBKRPOZWLFKTA-UHFFFAOYSA-N
MW219.31 g/mol
LogP0.34
Rot. Bonds3

About 4-(1-methylsulfonylpropyl)piperidin-2-one

4-(1-methylsulfonylpropyl)piperidin-2-one (PubChem CID 173160832) has the molecular formula C9H17NO3S and a molecular weight of 219.31 g/mol. Its IUPAC name is 4-(1-methylsulfonylpropyl)piperidin-2-one.

Molecular Properties

Compound Name4-(1-methylsulfonylpropyl)piperidin-2-one
PubChem CID173160832
Molecular FormulaC9H17NO3S
Molecular Weight219.31 g/mol
Exact Mass219.09
IUPAC Name4-(1-methylsulfonylpropyl)piperidin-2-one
SMILESCCC(C1CCNC(=O)C1)S(C)(=O)=O
InChIInChI=1S/C9H17NO3S/c1-3-8(14(2,12)13)7-4-5-10-9(11)6-7/h7-8H,3-6H2,1-2H3,(H,10,11)
InChIKeyQJBKRPOZWLFKTA-UHFFFAOYSA-N
XLogP0.34
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methylsulfonylpropyl)piperidin-2-one?
The IUPAC name of 4-(1-methylsulfonylpropyl)piperidin-2-one (CID 173160832) is 4-(1-methylsulfonylpropyl)piperidin-2-one.
What is the SMILES notation for 4-(1-methylsulfonylpropyl)piperidin-2-one?
The canonical SMILES for 4-(1-methylsulfonylpropyl)piperidin-2-one is CCC(C1CCNC(=O)C1)S(C)(=O)=O.
What is the InChIKey of 4-(1-methylsulfonylpropyl)piperidin-2-one?
The InChIKey is QJBKRPOZWLFKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3S/c1-3-8(14(2,12)13)7-4-5-10-9(11)6-7/h7-8H,3-6H2,1-2H3,(H,10,11).
What are the key properties of 4-(1-methylsulfonylpropyl)piperidin-2-one?
4-(1-methylsulfonylpropyl)piperidin-2-one has a molecular weight of 219.31 g/mol, XLogP of 0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylsulfonylpropyl)piperidin-2-one is sourced from PubChem (CID 173160832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).