3-[5-(1-methylsulfonylpyrrolidin-2-yl)pyrazin-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one

C17H24N4O4S — CID 110098976

IUPAC3-[5-(1-methylsulfonylpyrrolidin-2-yl)pyrazin-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one
SMILESCS(=O)(=O)N1CCCC1c1cnc(N2CC3(CCCCC3)OC2=O)cn1
InChIInChI=1S/C17H24N4O4S/c1-26(23,24)21-9-5-6-14(21)13-10-19-15(11-18-13)20-12-17(25-16(20)22)7-3-2-4-8-17/h10-11,14H,2-9,12H2,1H3
InChIKeySPDHKGBLVURYJQ-UHFFFAOYSA-N
MW380.47 g/mol
LogP2.23
Rot. Bonds3

About 3-[5-(1-methylsulfonylpyrrolidin-2-yl)pyrazin-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one

3-[5-(1-methylsulfonylpyrrolidin-2-yl)pyrazin-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one (PubChem CID 110098976) has the molecular formula C17H24N4O4S and a molecular weight of 380.47 g/mol. Its IUPAC name is 3-[5-(1-methylsulfonylpyrrolidin-2-yl)pyrazin-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-[5-(1-methylsulfonylpyrrolidin-2-yl)pyrazin-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one
PubChem CID110098976
Molecular FormulaC17H24N4O4S
Molecular Weight380.47 g/mol
Exact Mass380.15
IUPAC Name3-[5-(1-methylsulfonylpyrrolidin-2-yl)pyrazin-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one
SMILESCS(=O)(=O)N1CCCC1c1cnc(N2CC3(CCCCC3)OC2=O)cn1
InChIInChI=1S/C17H24N4O4S/c1-26(23,24)21-9-5-6-14(21)13-10-19-15(11-18-13)20-12-17(25-16(20)22)7-3-2-4-8-17/h10-11,14H,2-9,12H2,1H3
InChIKeySPDHKGBLVURYJQ-UHFFFAOYSA-N
XLogP2.23
TPSA92.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(1-methylsulfonylpyrrolidin-2-yl)pyrazin-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one?
The IUPAC name of 3-[5-(1-methylsulfonylpyrrolidin-2-yl)pyrazin-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one (CID 110098976) is 3-[5-(1-methylsulfonylpyrrolidin-2-yl)pyrazin-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-[5-(1-methylsulfonylpyrrolidin-2-yl)pyrazin-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one?
The canonical SMILES for 3-[5-(1-methylsulfonylpyrrolidin-2-yl)pyrazin-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one is CS(=O)(=O)N1CCCC1c1cnc(N2CC3(CCCCC3)OC2=O)cn1.
What is the InChIKey of 3-[5-(1-methylsulfonylpyrrolidin-2-yl)pyrazin-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one?
The InChIKey is SPDHKGBLVURYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O4S/c1-26(23,24)21-9-5-6-14(21)13-10-19-15(11-18-13)20-12-17(25-16(20)22)7-3-2-4-8-17/h10-11,14H,2-9,12H2,1H3.
What are the key properties of 3-[5-(1-methylsulfonylpyrrolidin-2-yl)pyrazin-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one?
3-[5-(1-methylsulfonylpyrrolidin-2-yl)pyrazin-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one has a molecular weight of 380.47 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(1-methylsulfonylpyrrolidin-2-yl)pyrazin-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one is sourced from PubChem (CID 110098976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).