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

C15H24N2O4S — CID 97474925

IUPAC1-[(5R,9R)-2-cyclopropylsulfonyl-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidin-2-one
SMILESO=C1CCCN1[C@@H]1CCO[C@]2(CCN(S(=O)(=O)C3CC3)C2)C1
InChIInChI=1S/C15H24N2O4S/c18-14-2-1-7-17(14)12-5-9-21-15(10-12)6-8-16(11-15)22(19,20)13-3-4-13/h12-13H,1-11H2/t12-,15-/m1/s1
InChIKeyZCDVMMGTUVGDKA-IUODEOHRSA-N
MW328.43 g/mol
LogP0.72
Rot. Bonds3

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

1-[(5R,9R)-2-cyclopropylsulfonyl-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidin-2-one (PubChem CID 97474925) has the molecular formula C15H24N2O4S and a molecular weight of 328.43 g/mol. Its IUPAC name is 1-[(5R,9R)-2-cyclopropylsulfonyl-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(5R,9R)-2-cyclopropylsulfonyl-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidin-2-one
PubChem CID97474925
Molecular FormulaC15H24N2O4S
Molecular Weight328.43 g/mol
Exact Mass328.15
IUPAC Name1-[(5R,9R)-2-cyclopropylsulfonyl-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidin-2-one
SMILESO=C1CCCN1[C@@H]1CCO[C@]2(CCN(S(=O)(=O)C3CC3)C2)C1
InChIInChI=1S/C15H24N2O4S/c18-14-2-1-7-17(14)12-5-9-21-15(10-12)6-8-16(11-15)22(19,20)13-3-4-13/h12-13H,1-11H2/t12-,15-/m1/s1
InChIKeyZCDVMMGTUVGDKA-IUODEOHRSA-N
XLogP0.72
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 50.72
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-cyclopropylsulfonyl-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidin-2-one?
The IUPAC name of 1-[(5R,9R)-2-cyclopropylsulfonyl-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidin-2-one (CID 97474925) is 1-[(5R,9R)-2-cyclopropylsulfonyl-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(5R,9R)-2-cyclopropylsulfonyl-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[(5R,9R)-2-cyclopropylsulfonyl-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidin-2-one is O=C1CCCN1[C@@H]1CCO[C@]2(CCN(S(=O)(=O)C3CC3)C2)C1.
What is the InChIKey of 1-[(5R,9R)-2-cyclopropylsulfonyl-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidin-2-one?
The InChIKey is ZCDVMMGTUVGDKA-IUODEOHRSA-N. The full InChI is InChI=1S/C15H24N2O4S/c18-14-2-1-7-17(14)12-5-9-21-15(10-12)6-8-16(11-15)22(19,20)13-3-4-13/h12-13H,1-11H2/t12-,15-/m1/s1.
What are the key properties of 1-[(5R,9R)-2-cyclopropylsulfonyl-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidin-2-one?
1-[(5R,9R)-2-cyclopropylsulfonyl-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidin-2-one has a molecular weight of 328.43 g/mol, XLogP of 0.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5R,9R)-2-cyclopropylsulfonyl-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidin-2-one is sourced from PubChem (CID 97474925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).