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

C15H26N2O4S — CID 97476805

IUPAC1-[(5R,9R)-2-propylsulfonyl-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidin-2-one
SMILESCCCS(=O)(=O)N1CC[C@@]2(C[C@H](N3CCCC3=O)CCO2)C1
InChIInChI=1S/C15H26N2O4S/c1-2-10-22(19,20)16-8-6-15(12-16)11-13(5-9-21-15)17-7-3-4-14(17)18/h13H,2-12H2,1H3/t13-,15-/m1/s1
InChIKeyOEPSQUSLEKRUEB-UKRRQHHQSA-N
MW330.45 g/mol
LogP0.97
Rot. Bonds4

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

1-[(5R,9R)-2-propylsulfonyl-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidin-2-one (PubChem CID 97476805) has the molecular formula C15H26N2O4S and a molecular weight of 330.45 g/mol. Its IUPAC name is 1-[(5R,9R)-2-propylsulfonyl-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(5R,9R)-2-propylsulfonyl-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidin-2-one
PubChem CID97476805
Molecular FormulaC15H26N2O4S
Molecular Weight330.45 g/mol
Exact Mass330.16
IUPAC Name1-[(5R,9R)-2-propylsulfonyl-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidin-2-one
SMILESCCCS(=O)(=O)N1CC[C@@]2(C[C@H](N3CCCC3=O)CCO2)C1
InChIInChI=1S/C15H26N2O4S/c1-2-10-22(19,20)16-8-6-15(12-16)11-13(5-9-21-15)17-7-3-4-14(17)18/h13H,2-12H2,1H3/t13-,15-/m1/s1
InChIKeyOEPSQUSLEKRUEB-UKRRQHHQSA-N
XLogP0.97
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(5R,9R)-2-propylsulfonyl-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidin-2-one?
The IUPAC name of 1-[(5R,9R)-2-propylsulfonyl-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidin-2-one (CID 97476805) is 1-[(5R,9R)-2-propylsulfonyl-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(5R,9R)-2-propylsulfonyl-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[(5R,9R)-2-propylsulfonyl-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidin-2-one is CCCS(=O)(=O)N1CC[C@@]2(C[C@H](N3CCCC3=O)CCO2)C1.
What is the InChIKey of 1-[(5R,9R)-2-propylsulfonyl-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidin-2-one?
The InChIKey is OEPSQUSLEKRUEB-UKRRQHHQSA-N. The full InChI is InChI=1S/C15H26N2O4S/c1-2-10-22(19,20)16-8-6-15(12-16)11-13(5-9-21-15)17-7-3-4-14(17)18/h13H,2-12H2,1H3/t13-,15-/m1/s1.
What are the key properties of 1-[(5R,9R)-2-propylsulfonyl-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidin-2-one?
1-[(5R,9R)-2-propylsulfonyl-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidin-2-one has a molecular weight of 330.45 g/mol, XLogP of 0.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5R,9R)-2-propylsulfonyl-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidin-2-one is sourced from PubChem (CID 97476805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).