1-[2-[(8S)-2-cyclopropylsulfonyl-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrrolidin-2-one

C15H24N2O4S — CID 124812870

IUPAC1-[2-[(8S)-2-cyclopropylsulfonyl-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC[C@H]1CCOC12CN(S(=O)(=O)C1CC1)C2
InChIInChI=1S/C15H24N2O4S/c18-14-2-1-7-16(14)8-5-12-6-9-21-15(12)10-17(11-15)22(19,20)13-3-4-13/h12-13H,1-11H2/t12-/m0/s1
InChIKeyYEVQENPZMFFVHI-LBPRGKRZSA-N
MW328.43 g/mol
LogP0.58
Rot. Bonds5

About 1-[2-[(8S)-2-cyclopropylsulfonyl-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrrolidin-2-one

1-[2-[(8S)-2-cyclopropylsulfonyl-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrrolidin-2-one (PubChem CID 124812870) has the molecular formula C15H24N2O4S and a molecular weight of 328.43 g/mol. Its IUPAC name is 1-[2-[(8S)-2-cyclopropylsulfonyl-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[(8S)-2-cyclopropylsulfonyl-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrrolidin-2-one
PubChem CID124812870
Molecular FormulaC15H24N2O4S
Molecular Weight328.43 g/mol
Exact Mass328.15
IUPAC Name1-[2-[(8S)-2-cyclopropylsulfonyl-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC[C@H]1CCOC12CN(S(=O)(=O)C1CC1)C2
InChIInChI=1S/C15H24N2O4S/c18-14-2-1-7-16(14)8-5-12-6-9-21-15(12)10-17(11-15)22(19,20)13-3-4-13/h12-13H,1-11H2/t12-/m0/s1
InChIKeyYEVQENPZMFFVHI-LBPRGKRZSA-N
XLogP0.58
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
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-[2-[(8S)-2-cyclopropylsulfonyl-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[(8S)-2-cyclopropylsulfonyl-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrrolidin-2-one (CID 124812870) is 1-[2-[(8S)-2-cyclopropylsulfonyl-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[(8S)-2-cyclopropylsulfonyl-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[(8S)-2-cyclopropylsulfonyl-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrrolidin-2-one is O=C1CCCN1CC[C@H]1CCOC12CN(S(=O)(=O)C1CC1)C2.
What is the InChIKey of 1-[2-[(8S)-2-cyclopropylsulfonyl-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrrolidin-2-one?
The InChIKey is YEVQENPZMFFVHI-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H24N2O4S/c18-14-2-1-7-16(14)8-5-12-6-9-21-15(12)10-17(11-15)22(19,20)13-3-4-13/h12-13H,1-11H2/t12-/m0/s1.
What are the key properties of 1-[2-[(8S)-2-cyclopropylsulfonyl-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrrolidin-2-one?
1-[2-[(8S)-2-cyclopropylsulfonyl-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrrolidin-2-one has a molecular weight of 328.43 g/mol, XLogP of 0.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(8S)-2-cyclopropylsulfonyl-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 124812870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).