3-(3-methylsulfonylpropylamino)piperidin-2-one

C9H18N2O3S — CID 63191547

IUPAC3-(3-methylsulfonylpropylamino)piperidin-2-one
SMILESCS(=O)(=O)CCCNC1CCCNC1=O
InChIInChI=1S/C9H18N2O3S/c1-15(13,14)7-3-6-10-8-4-2-5-11-9(8)12/h8,10H,2-7H2,1H3,(H,11,12)
InChIKeyWYNFTJQIHSEMQY-UHFFFAOYSA-N
MW234.32 g/mol
LogP-0.71
Rot. Bonds5

About 3-(3-methylsulfonylpropylamino)piperidin-2-one

3-(3-methylsulfonylpropylamino)piperidin-2-one (PubChem CID 63191547) has the molecular formula C9H18N2O3S and a molecular weight of 234.32 g/mol. Its IUPAC name is 3-(3-methylsulfonylpropylamino)piperidin-2-one.

Molecular Properties

Compound Name3-(3-methylsulfonylpropylamino)piperidin-2-one
PubChem CID63191547
Molecular FormulaC9H18N2O3S
Molecular Weight234.32 g/mol
Exact Mass234.10
IUPAC Name3-(3-methylsulfonylpropylamino)piperidin-2-one
SMILESCS(=O)(=O)CCCNC1CCCNC1=O
InChIInChI=1S/C9H18N2O3S/c1-15(13,14)7-3-6-10-8-4-2-5-11-9(8)12/h8,10H,2-7H2,1H3,(H,11,12)
InChIKeyWYNFTJQIHSEMQY-UHFFFAOYSA-N
XLogP-0.71
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylsulfonylpropylamino)piperidin-2-one?
The IUPAC name of 3-(3-methylsulfonylpropylamino)piperidin-2-one (CID 63191547) is 3-(3-methylsulfonylpropylamino)piperidin-2-one.
What is the SMILES notation for 3-(3-methylsulfonylpropylamino)piperidin-2-one?
The canonical SMILES for 3-(3-methylsulfonylpropylamino)piperidin-2-one is CS(=O)(=O)CCCNC1CCCNC1=O.
What is the InChIKey of 3-(3-methylsulfonylpropylamino)piperidin-2-one?
The InChIKey is WYNFTJQIHSEMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3S/c1-15(13,14)7-3-6-10-8-4-2-5-11-9(8)12/h8,10H,2-7H2,1H3,(H,11,12).
What are the key properties of 3-(3-methylsulfonylpropylamino)piperidin-2-one?
3-(3-methylsulfonylpropylamino)piperidin-2-one has a molecular weight of 234.32 g/mol, XLogP of -0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylsulfonylpropylamino)piperidin-2-one is sourced from PubChem (CID 63191547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).