1-[[(5R,7S)-2-cyclopropylsulfonyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]pyrrolidin-2-one

C16H26N2O4S — CID 97474872

IUPAC1-[[(5R,7S)-2-cyclopropylsulfonyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1C[C@@H]1CCC[C@]2(CCN(S(=O)(=O)C3CC3)C2)O1
InChIInChI=1S/C16H26N2O4S/c19-15-4-2-9-17(15)11-13-3-1-7-16(22-13)8-10-18(12-16)23(20,21)14-5-6-14/h13-14H,1-12H2/t13-,16+/m0/s1
InChIKeyUYBGZCYBHDJZJL-XJKSGUPXSA-N
MW342.46 g/mol
LogP1.11
Rot. Bonds4

About 1-[[(5R,7S)-2-cyclopropylsulfonyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]pyrrolidin-2-one

1-[[(5R,7S)-2-cyclopropylsulfonyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]pyrrolidin-2-one (PubChem CID 97474872) has the molecular formula C16H26N2O4S and a molecular weight of 342.46 g/mol. Its IUPAC name is 1-[[(5R,7S)-2-cyclopropylsulfonyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[(5R,7S)-2-cyclopropylsulfonyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]pyrrolidin-2-one
PubChem CID97474872
Molecular FormulaC16H26N2O4S
Molecular Weight342.46 g/mol
Exact Mass342.16
IUPAC Name1-[[(5R,7S)-2-cyclopropylsulfonyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1C[C@@H]1CCC[C@]2(CCN(S(=O)(=O)C3CC3)C2)O1
InChIInChI=1S/C16H26N2O4S/c19-15-4-2-9-17(15)11-13-3-1-7-16(22-13)8-10-18(12-16)23(20,21)14-5-6-14/h13-14H,1-12H2/t13-,16+/m0/s1
InChIKeyUYBGZCYBHDJZJL-XJKSGUPXSA-N
XLogP1.11
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[(5R,7S)-2-cyclopropylsulfonyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[(5R,7S)-2-cyclopropylsulfonyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]pyrrolidin-2-one (CID 97474872) is 1-[[(5R,7S)-2-cyclopropylsulfonyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[(5R,7S)-2-cyclopropylsulfonyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[(5R,7S)-2-cyclopropylsulfonyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]pyrrolidin-2-one is O=C1CCCN1C[C@@H]1CCC[C@]2(CCN(S(=O)(=O)C3CC3)C2)O1.
What is the InChIKey of 1-[[(5R,7S)-2-cyclopropylsulfonyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]pyrrolidin-2-one?
The InChIKey is UYBGZCYBHDJZJL-XJKSGUPXSA-N. The full InChI is InChI=1S/C16H26N2O4S/c19-15-4-2-9-17(15)11-13-3-1-7-16(22-13)8-10-18(12-16)23(20,21)14-5-6-14/h13-14H,1-12H2/t13-,16+/m0/s1.
What are the key properties of 1-[[(5R,7S)-2-cyclopropylsulfonyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]pyrrolidin-2-one?
1-[[(5R,7S)-2-cyclopropylsulfonyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]pyrrolidin-2-one has a molecular weight of 342.46 g/mol, XLogP of 1.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(5R,7S)-2-cyclopropylsulfonyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 97474872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).