3-(3-methylsulfonylpropyl)pyrrolidin-2-one

C8H15NO3S — CID 104679318

IUPAC3-(3-methylsulfonylpropyl)pyrrolidin-2-one
SMILESCS(=O)(=O)CCCC1CCNC1=O
InChIInChI=1S/C8H15NO3S/c1-13(11,12)6-2-3-7-4-5-9-8(7)10/h7H,2-6H2,1H3,(H,9,10)
InChIKeyPVFCXRXFAMDFQF-UHFFFAOYSA-N
MW205.28 g/mol
LogP-0.05
Rot. Bonds4

About 3-(3-methylsulfonylpropyl)pyrrolidin-2-one

3-(3-methylsulfonylpropyl)pyrrolidin-2-one (PubChem CID 104679318) has the molecular formula C8H15NO3S and a molecular weight of 205.28 g/mol. Its IUPAC name is 3-(3-methylsulfonylpropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-(3-methylsulfonylpropyl)pyrrolidin-2-one
PubChem CID104679318
Molecular FormulaC8H15NO3S
Molecular Weight205.28 g/mol
Exact Mass205.08
IUPAC Name3-(3-methylsulfonylpropyl)pyrrolidin-2-one
SMILESCS(=O)(=O)CCCC1CCNC1=O
InChIInChI=1S/C8H15NO3S/c1-13(11,12)6-2-3-7-4-5-9-8(7)10/h7H,2-6H2,1H3,(H,9,10)
InChIKeyPVFCXRXFAMDFQF-UHFFFAOYSA-N
XLogP-0.05
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylsulfonylpropyl)pyrrolidin-2-one?
The IUPAC name of 3-(3-methylsulfonylpropyl)pyrrolidin-2-one (CID 104679318) is 3-(3-methylsulfonylpropyl)pyrrolidin-2-one.
What is the SMILES notation for 3-(3-methylsulfonylpropyl)pyrrolidin-2-one?
The canonical SMILES for 3-(3-methylsulfonylpropyl)pyrrolidin-2-one is CS(=O)(=O)CCCC1CCNC1=O.
What is the InChIKey of 3-(3-methylsulfonylpropyl)pyrrolidin-2-one?
The InChIKey is PVFCXRXFAMDFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3S/c1-13(11,12)6-2-3-7-4-5-9-8(7)10/h7H,2-6H2,1H3,(H,9,10).
What are the key properties of 3-(3-methylsulfonylpropyl)pyrrolidin-2-one?
3-(3-methylsulfonylpropyl)pyrrolidin-2-one has a molecular weight of 205.28 g/mol, XLogP of -0.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylsulfonylpropyl)pyrrolidin-2-one is sourced from PubChem (CID 104679318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).