2-imidazo[1,2-a]pyridin-3-ylsulfonyl-6-oxa-2,9-diazaspiro[4.5]decan-8-one

C14H16N4O4S — CID 138386250

IUPAC2-imidazo[1,2-a]pyridin-3-ylsulfonyl-6-oxa-2,9-diazaspiro[4.5]decan-8-one
SMILESO=C1COC2(CCN(S(=O)(=O)c3cnc4ccccn34)C2)CN1
InChIInChI=1S/C14H16N4O4S/c19-12-8-22-14(9-16-12)4-6-17(10-14)23(20,21)13-7-15-11-3-1-2-5-18(11)13/h1-3,5,7H,4,6,8-10H2,(H,16,19)
InChIKeyJJCCHXZIZJNFPK-UHFFFAOYSA-N
MW336.37 g/mol
LogP-0.39
Rot. Bonds2

About 2-imidazo[1,2-a]pyridin-3-ylsulfonyl-6-oxa-2,9-diazaspiro[4.5]decan-8-one

2-imidazo[1,2-a]pyridin-3-ylsulfonyl-6-oxa-2,9-diazaspiro[4.5]decan-8-one (PubChem CID 138386250) has the molecular formula C14H16N4O4S and a molecular weight of 336.37 g/mol. Its IUPAC name is 2-imidazo[1,2-a]pyridin-3-ylsulfonyl-6-oxa-2,9-diazaspiro[4.5]decan-8-one.

Molecular Properties

Compound Name2-imidazo[1,2-a]pyridin-3-ylsulfonyl-6-oxa-2,9-diazaspiro[4.5]decan-8-one
PubChem CID138386250
Molecular FormulaC14H16N4O4S
Molecular Weight336.37 g/mol
Exact Mass336.09
IUPAC Name2-imidazo[1,2-a]pyridin-3-ylsulfonyl-6-oxa-2,9-diazaspiro[4.5]decan-8-one
SMILESO=C1COC2(CCN(S(=O)(=O)c3cnc4ccccn34)C2)CN1
InChIInChI=1S/C14H16N4O4S/c19-12-8-22-14(9-16-12)4-6-17(10-14)23(20,21)13-7-15-11-3-1-2-5-18(11)13/h1-3,5,7H,4,6,8-10H2,(H,16,19)
InChIKeyJJCCHXZIZJNFPK-UHFFFAOYSA-N
XLogP-0.39
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-imidazo[1,2-a]pyridin-3-ylsulfonyl-6-oxa-2,9-diazaspiro[4.5]decan-8-one?
The IUPAC name of 2-imidazo[1,2-a]pyridin-3-ylsulfonyl-6-oxa-2,9-diazaspiro[4.5]decan-8-one (CID 138386250) is 2-imidazo[1,2-a]pyridin-3-ylsulfonyl-6-oxa-2,9-diazaspiro[4.5]decan-8-one.
What is the SMILES notation for 2-imidazo[1,2-a]pyridin-3-ylsulfonyl-6-oxa-2,9-diazaspiro[4.5]decan-8-one?
The canonical SMILES for 2-imidazo[1,2-a]pyridin-3-ylsulfonyl-6-oxa-2,9-diazaspiro[4.5]decan-8-one is O=C1COC2(CCN(S(=O)(=O)c3cnc4ccccn34)C2)CN1.
What is the InChIKey of 2-imidazo[1,2-a]pyridin-3-ylsulfonyl-6-oxa-2,9-diazaspiro[4.5]decan-8-one?
The InChIKey is JJCCHXZIZJNFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O4S/c19-12-8-22-14(9-16-12)4-6-17(10-14)23(20,21)13-7-15-11-3-1-2-5-18(11)13/h1-3,5,7H,4,6,8-10H2,(H,16,19).
What are the key properties of 2-imidazo[1,2-a]pyridin-3-ylsulfonyl-6-oxa-2,9-diazaspiro[4.5]decan-8-one?
2-imidazo[1,2-a]pyridin-3-ylsulfonyl-6-oxa-2,9-diazaspiro[4.5]decan-8-one has a molecular weight of 336.37 g/mol, XLogP of -0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazo[1,2-a]pyridin-3-ylsulfonyl-6-oxa-2,9-diazaspiro[4.5]decan-8-one is sourced from PubChem (CID 138386250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).