5-(1-benzofuran-7-ylsulfonyl)-8-oxa-5-azaspiro[3.5]nonane

C15H17NO4S — CID 128574553

IUPAC5-(1-benzofuran-7-ylsulfonyl)-8-oxa-5-azaspiro[3.5]nonane
SMILESO=S(=O)(c1cccc2ccoc12)N1CCOCC12CCC2
InChIInChI=1S/C15H17NO4S/c17-21(18,13-4-1-3-12-5-9-20-14(12)13)16-8-10-19-11-15(16)6-2-7-15/h1,3-5,9H,2,6-8,10-11H2
InChIKeyJNMCQWOJHODEGU-UHFFFAOYSA-N
MW307.37 g/mol
LogP2.38
Rot. Bonds2

About 5-(1-benzofuran-7-ylsulfonyl)-8-oxa-5-azaspiro[3.5]nonane

5-(1-benzofuran-7-ylsulfonyl)-8-oxa-5-azaspiro[3.5]nonane (PubChem CID 128574553) has the molecular formula C15H17NO4S and a molecular weight of 307.37 g/mol. Its IUPAC name is 5-(1-benzofuran-7-ylsulfonyl)-8-oxa-5-azaspiro[3.5]nonane.

Molecular Properties

Compound Name5-(1-benzofuran-7-ylsulfonyl)-8-oxa-5-azaspiro[3.5]nonane
PubChem CID128574553
Molecular FormulaC15H17NO4S
Molecular Weight307.37 g/mol
Exact Mass307.09
IUPAC Name5-(1-benzofuran-7-ylsulfonyl)-8-oxa-5-azaspiro[3.5]nonane
SMILESO=S(=O)(c1cccc2ccoc12)N1CCOCC12CCC2
InChIInChI=1S/C15H17NO4S/c17-21(18,13-4-1-3-12-5-9-20-14(12)13)16-8-10-19-11-15(16)6-2-7-15/h1,3-5,9H,2,6-8,10-11H2
InChIKeyJNMCQWOJHODEGU-UHFFFAOYSA-N
XLogP2.38
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(Dibenzo[b,d]furan-2-ylsulfonyl)morpholine
CID 559412
N-methyl-N-(2-phenoxyethyl)dibenzofuran-2-sulfonamide
CID 2295500
4-Dibenzofuran-3-ylsulfonylmorpholine
CID 2926916
4-(1-Benzofuran-2-sulfonyl)morpholine
CID 75494903
Cambridge id 7050765
CID 2925137
1-(1-Benzofuran-7-ylsulfonyl)-3-ethylazetidine
CID 128775195
N-[(4S)-8-oxaspiro[4.5]decan-4-yl]-1-benzofuran-7-sulfonamide
CID 164635694
N-[(3S)-1-methylpyrrolidin-3-yl]-1-benzofuran-7-sulfonamide
CID 164641167
4-[5-(1-Benzofuran-7-yl)-2-fluorophenyl]sulfonylmorpholine
CID 151860649
4-(1-Benzofuran-2-ylsulfinyl)morpholine
CID 132571738
1-Benzofuran-2-yl-imino-morpholin-4-yl-oxo-lambda6-sulfane
CID 155934059
1-[1-(1-Benzofuran-2-ylsulfonyl)piperidin-2-yl]-2,2,2-trifluoroethanol
CID 75433594

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzofuran-7-ylsulfonyl)-8-oxa-5-azaspiro[3.5]nonane?
The IUPAC name of 5-(1-benzofuran-7-ylsulfonyl)-8-oxa-5-azaspiro[3.5]nonane (CID 128574553) is 5-(1-benzofuran-7-ylsulfonyl)-8-oxa-5-azaspiro[3.5]nonane.
What is the SMILES notation for 5-(1-benzofuran-7-ylsulfonyl)-8-oxa-5-azaspiro[3.5]nonane?
The canonical SMILES for 5-(1-benzofuran-7-ylsulfonyl)-8-oxa-5-azaspiro[3.5]nonane is O=S(=O)(c1cccc2ccoc12)N1CCOCC12CCC2.
What is the InChIKey of 5-(1-benzofuran-7-ylsulfonyl)-8-oxa-5-azaspiro[3.5]nonane?
The InChIKey is JNMCQWOJHODEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4S/c17-21(18,13-4-1-3-12-5-9-20-14(12)13)16-8-10-19-11-15(16)6-2-7-15/h1,3-5,9H,2,6-8,10-11H2.
What are the key properties of 5-(1-benzofuran-7-ylsulfonyl)-8-oxa-5-azaspiro[3.5]nonane?
5-(1-benzofuran-7-ylsulfonyl)-8-oxa-5-azaspiro[3.5]nonane has a molecular weight of 307.37 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzofuran-7-ylsulfonyl)-8-oxa-5-azaspiro[3.5]nonane is sourced from PubChem (CID 128574553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).