1-[(5S,9S)-2-(2-methylsulfonylacetyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidin-2-one

C15H24N2O5S — CID 124782378

IUPAC1-[(5S,9S)-2-(2-methylsulfonylacetyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidin-2-one
SMILESCS(=O)(=O)CC(=O)N1CC[C@]2(C[C@@H](N3CCCC3=O)CCO2)C1
InChIInChI=1S/C15H24N2O5S/c1-23(20,21)10-14(19)16-7-5-15(11-16)9-12(4-8-22-15)17-6-2-3-13(17)18/h12H,2-11H2,1H3/t12-,15-/m0/s1
InChIKeyGTLCLLDMFCPCMT-WFASDCNBSA-N
MW344.43 g/mol
LogP-0.20
Rot. Bonds3

About 1-[(5S,9S)-2-(2-methylsulfonylacetyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidin-2-one

1-[(5S,9S)-2-(2-methylsulfonylacetyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidin-2-one (PubChem CID 124782378) has the molecular formula C15H24N2O5S and a molecular weight of 344.43 g/mol. Its IUPAC name is 1-[(5S,9S)-2-(2-methylsulfonylacetyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(5S,9S)-2-(2-methylsulfonylacetyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidin-2-one
PubChem CID124782378
Molecular FormulaC15H24N2O5S
Molecular Weight344.43 g/mol
Exact Mass344.14
IUPAC Name1-[(5S,9S)-2-(2-methylsulfonylacetyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidin-2-one
SMILESCS(=O)(=O)CC(=O)N1CC[C@]2(C[C@@H](N3CCCC3=O)CCO2)C1
InChIInChI=1S/C15H24N2O5S/c1-23(20,21)10-14(19)16-7-5-15(11-16)9-12(4-8-22-15)17-6-2-3-13(17)18/h12H,2-11H2,1H3/t12-,15-/m0/s1
InChIKeyGTLCLLDMFCPCMT-WFASDCNBSA-N
XLogP-0.20
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 5-0.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(5S,9S)-2-(2-methylsulfonylacetyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidin-2-one?
The IUPAC name of 1-[(5S,9S)-2-(2-methylsulfonylacetyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidin-2-one (CID 124782378) is 1-[(5S,9S)-2-(2-methylsulfonylacetyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(5S,9S)-2-(2-methylsulfonylacetyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[(5S,9S)-2-(2-methylsulfonylacetyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidin-2-one is CS(=O)(=O)CC(=O)N1CC[C@]2(C[C@@H](N3CCCC3=O)CCO2)C1.
What is the InChIKey of 1-[(5S,9S)-2-(2-methylsulfonylacetyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidin-2-one?
The InChIKey is GTLCLLDMFCPCMT-WFASDCNBSA-N. The full InChI is InChI=1S/C15H24N2O5S/c1-23(20,21)10-14(19)16-7-5-15(11-16)9-12(4-8-22-15)17-6-2-3-13(17)18/h12H,2-11H2,1H3/t12-,15-/m0/s1.
What are the key properties of 1-[(5S,9S)-2-(2-methylsulfonylacetyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidin-2-one?
1-[(5S,9S)-2-(2-methylsulfonylacetyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidin-2-one has a molecular weight of 344.43 g/mol, XLogP of -0.20, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5S,9S)-2-(2-methylsulfonylacetyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidin-2-one is sourced from PubChem (CID 124782378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).