4-(propylsulfonylmethyl)piperidin-2-one

C9H17NO3S — CID 173160833

IUPAC4-(propylsulfonylmethyl)piperidin-2-one
SMILESCCCS(=O)(=O)CC1CCNC(=O)C1
InChIInChI=1S/C9H17NO3S/c1-2-5-14(12,13)7-8-3-4-10-9(11)6-8/h8H,2-7H2,1H3,(H,10,11)
InChIKeyNSXUNRCLEOVFJE-UHFFFAOYSA-N
MW219.31 g/mol
LogP0.34
Rot. Bonds4

About 4-(propylsulfonylmethyl)piperidin-2-one

4-(propylsulfonylmethyl)piperidin-2-one (PubChem CID 173160833) has the molecular formula C9H17NO3S and a molecular weight of 219.31 g/mol. Its IUPAC name is 4-(propylsulfonylmethyl)piperidin-2-one.

Molecular Properties

Compound Name4-(propylsulfonylmethyl)piperidin-2-one
PubChem CID173160833
Molecular FormulaC9H17NO3S
Molecular Weight219.31 g/mol
Exact Mass219.09
IUPAC Name4-(propylsulfonylmethyl)piperidin-2-one
SMILESCCCS(=O)(=O)CC1CCNC(=O)C1
InChIInChI=1S/C9H17NO3S/c1-2-5-14(12,13)7-8-3-4-10-9(11)6-8/h8H,2-7H2,1H3,(H,10,11)
InChIKeyNSXUNRCLEOVFJE-UHFFFAOYSA-N
XLogP0.34
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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-(propylsulfonylmethyl)piperidin-2-one?
The IUPAC name of 4-(propylsulfonylmethyl)piperidin-2-one (CID 173160833) is 4-(propylsulfonylmethyl)piperidin-2-one.
What is the SMILES notation for 4-(propylsulfonylmethyl)piperidin-2-one?
The canonical SMILES for 4-(propylsulfonylmethyl)piperidin-2-one is CCCS(=O)(=O)CC1CCNC(=O)C1.
What is the InChIKey of 4-(propylsulfonylmethyl)piperidin-2-one?
The InChIKey is NSXUNRCLEOVFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3S/c1-2-5-14(12,13)7-8-3-4-10-9(11)6-8/h8H,2-7H2,1H3,(H,10,11).
What are the key properties of 4-(propylsulfonylmethyl)piperidin-2-one?
4-(propylsulfonylmethyl)piperidin-2-one has a molecular weight of 219.31 g/mol, XLogP of 0.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propylsulfonylmethyl)piperidin-2-one is sourced from PubChem (CID 173160833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).