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

C14H24N2O4S — CID 97477340

IUPAC1-[(5R,9R)-2-ethylsulfonyl-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidin-2-one
SMILESCCS(=O)(=O)N1CC[C@@]2(C[C@H](N3CCCC3=O)CCO2)C1
InChIInChI=1S/C14H24N2O4S/c1-2-21(18,19)15-8-6-14(11-15)10-12(5-9-20-14)16-7-3-4-13(16)17/h12H,2-11H2,1H3/t12-,14-/m1/s1
InChIKeyNRXPZRXMGNJBDD-TZMCWYRMSA-N
MW316.42 g/mol
LogP0.58
Rot. Bonds3

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

1-[(5R,9R)-2-ethylsulfonyl-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidin-2-one (PubChem CID 97477340) has the molecular formula C14H24N2O4S and a molecular weight of 316.42 g/mol. Its IUPAC name is 1-[(5R,9R)-2-ethylsulfonyl-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(5R,9R)-2-ethylsulfonyl-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidin-2-one
PubChem CID97477340
Molecular FormulaC14H24N2O4S
Molecular Weight316.42 g/mol
Exact Mass316.15
IUPAC Name1-[(5R,9R)-2-ethylsulfonyl-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidin-2-one
SMILESCCS(=O)(=O)N1CC[C@@]2(C[C@H](N3CCCC3=O)CCO2)C1
InChIInChI=1S/C14H24N2O4S/c1-2-21(18,19)15-8-6-14(11-15)10-12(5-9-20-14)16-7-3-4-13(16)17/h12H,2-11H2,1H3/t12-,14-/m1/s1
InChIKeyNRXPZRXMGNJBDD-TZMCWYRMSA-N
XLogP0.58
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 50.58
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-ethylsulfonyl-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidin-2-one?
The IUPAC name of 1-[(5R,9R)-2-ethylsulfonyl-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidin-2-one (CID 97477340) is 1-[(5R,9R)-2-ethylsulfonyl-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(5R,9R)-2-ethylsulfonyl-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[(5R,9R)-2-ethylsulfonyl-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidin-2-one is CCS(=O)(=O)N1CC[C@@]2(C[C@H](N3CCCC3=O)CCO2)C1.
What is the InChIKey of 1-[(5R,9R)-2-ethylsulfonyl-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidin-2-one?
The InChIKey is NRXPZRXMGNJBDD-TZMCWYRMSA-N. The full InChI is InChI=1S/C14H24N2O4S/c1-2-21(18,19)15-8-6-14(11-15)10-12(5-9-20-14)16-7-3-4-13(16)17/h12H,2-11H2,1H3/t12-,14-/m1/s1.
What are the key properties of 1-[(5R,9R)-2-ethylsulfonyl-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidin-2-one?
1-[(5R,9R)-2-ethylsulfonyl-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidin-2-one has a molecular weight of 316.42 g/mol, XLogP of 0.58, 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-ethylsulfonyl-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidin-2-one is sourced from PubChem (CID 97477340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).