6-(1-oxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-3H-1,3-benzoxazol-2-one

C15H18N2O5S — CID 56900612

IUPAC6-(1-oxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2ccc(S(=O)(=O)N3CCC4(CCCO4)CC3)cc2o1
InChIInChI=1S/C15H18N2O5S/c18-14-16-12-3-2-11(10-13(12)22-14)23(19,20)17-7-5-15(6-8-17)4-1-9-21-15/h2-3,10H,1,4-9H2,(H,16,18)
InChIKeyVFBZYSMGMWMQPM-UHFFFAOYSA-N
MW338.38 g/mol
LogP1.45
Rot. Bonds2

About 6-(1-oxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-3H-1,3-benzoxazol-2-one

6-(1-oxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-3H-1,3-benzoxazol-2-one (PubChem CID 56900612) has the molecular formula C15H18N2O5S and a molecular weight of 338.38 g/mol. Its IUPAC name is 6-(1-oxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-(1-oxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-3H-1,3-benzoxazol-2-one
PubChem CID56900612
Molecular FormulaC15H18N2O5S
Molecular Weight338.38 g/mol
Exact Mass338.09
IUPAC Name6-(1-oxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2ccc(S(=O)(=O)N3CCC4(CCCO4)CC3)cc2o1
InChIInChI=1S/C15H18N2O5S/c18-14-16-12-3-2-11(10-13(12)22-14)23(19,20)17-7-5-15(6-8-17)4-1-9-21-15/h2-3,10H,1,4-9H2,(H,16,18)
InChIKeyVFBZYSMGMWMQPM-UHFFFAOYSA-N
XLogP1.45
TPSA92.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[[(5S)-2,9-diazaspiro[4.5]decan-2-yl]sulfonyl]-3H-1,3-benzoxazol-2-one
CID 95230701
5,7-dimethyl-1'-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108782702
5-pyrrolidin-1-ylsulfonyl-3H-1,3-benzoxazol-2-one
CID 110760633
6-(3-methylpiperidin-1-yl)sulfonyl-3H-1,3-benzoxazol-2-one
CID 20866159
6-[(2-methyl-1,3-oxazinan-3-yl)sulfonyl]-3H-1,3-benzoxazol-2-one
CID 110739902
6-(4-butanoylpiperazin-1-yl)sulfonyl-3H-1,3-benzoxazol-2-one
CID 110817332
6-[4-[(3-methylphenyl)methyl]piperazin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one
CID 110398823
6-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one
CID 108782939
(3S)-N-(4-acetamidophenyl)-1-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonyl]piperidine-3-carboxamide
CID 92708460
6-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one
CID 46971295
methyl-(3-methylbutyl)-[1-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]azanium
CID 3701220
1'-[(2-oxo-3H-1,3-benzoxazol-5-yl)sulfonyl]spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 90618417

Frequently Asked Questions

What is the IUPAC name of 6-(1-oxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-3H-1,3-benzoxazol-2-one?
The IUPAC name of 6-(1-oxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-3H-1,3-benzoxazol-2-one (CID 56900612) is 6-(1-oxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-(1-oxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 6-(1-oxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-3H-1,3-benzoxazol-2-one is O=c1[nH]c2ccc(S(=O)(=O)N3CCC4(CCCO4)CC3)cc2o1.
What is the InChIKey of 6-(1-oxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-3H-1,3-benzoxazol-2-one?
The InChIKey is VFBZYSMGMWMQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O5S/c18-14-16-12-3-2-11(10-13(12)22-14)23(19,20)17-7-5-15(6-8-17)4-1-9-21-15/h2-3,10H,1,4-9H2,(H,16,18).
What are the key properties of 6-(1-oxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-3H-1,3-benzoxazol-2-one?
6-(1-oxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-3H-1,3-benzoxazol-2-one has a molecular weight of 338.38 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-oxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 56900612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).