8-(benzenesulfonyl)-1-oxa-4-thia-8-azaspiro[4.5]decane

C13H17NO3S2 — CID 56764679

IUPAC8-(benzenesulfonyl)-1-oxa-4-thia-8-azaspiro[4.5]decane
SMILESO=S(=O)(c1ccccc1)N1CCC2(CC1)OCCS2
InChIInChI=1S/C13H17NO3S2/c15-19(16,12-4-2-1-3-5-12)14-8-6-13(7-9-14)17-10-11-18-13/h1-5H,6-11H2
InChIKeyVCLQYVFXAKHTEW-UHFFFAOYSA-N
MW299.42 g/mol
LogP1.93
Rot. Bonds2

About 8-(benzenesulfonyl)-1-oxa-4-thia-8-azaspiro[4.5]decane

8-(benzenesulfonyl)-1-oxa-4-thia-8-azaspiro[4.5]decane (PubChem CID 56764679) has the molecular formula C13H17NO3S2 and a molecular weight of 299.42 g/mol. Its IUPAC name is 8-(benzenesulfonyl)-1-oxa-4-thia-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-(benzenesulfonyl)-1-oxa-4-thia-8-azaspiro[4.5]decane
PubChem CID56764679
Molecular FormulaC13H17NO3S2
Molecular Weight299.42 g/mol
Exact Mass299.06
IUPAC Name8-(benzenesulfonyl)-1-oxa-4-thia-8-azaspiro[4.5]decane
SMILESO=S(=O)(c1ccccc1)N1CCC2(CC1)OCCS2
InChIInChI=1S/C13H17NO3S2/c15-19(16,12-4-2-1-3-5-12)14-8-6-13(7-9-14)17-10-11-18-13/h1-5H,6-11H2
InChIKeyVCLQYVFXAKHTEW-UHFFFAOYSA-N
XLogP1.93
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(benzenesulfonyl)-1-oxa-4-thia-8-azaspiro[4.5]decane?
The IUPAC name of 8-(benzenesulfonyl)-1-oxa-4-thia-8-azaspiro[4.5]decane (CID 56764679) is 8-(benzenesulfonyl)-1-oxa-4-thia-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-(benzenesulfonyl)-1-oxa-4-thia-8-azaspiro[4.5]decane?
The canonical SMILES for 8-(benzenesulfonyl)-1-oxa-4-thia-8-azaspiro[4.5]decane is O=S(=O)(c1ccccc1)N1CCC2(CC1)OCCS2.
What is the InChIKey of 8-(benzenesulfonyl)-1-oxa-4-thia-8-azaspiro[4.5]decane?
The InChIKey is VCLQYVFXAKHTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3S2/c15-19(16,12-4-2-1-3-5-12)14-8-6-13(7-9-14)17-10-11-18-13/h1-5H,6-11H2.
What are the key properties of 8-(benzenesulfonyl)-1-oxa-4-thia-8-azaspiro[4.5]decane?
8-(benzenesulfonyl)-1-oxa-4-thia-8-azaspiro[4.5]decane has a molecular weight of 299.42 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(benzenesulfonyl)-1-oxa-4-thia-8-azaspiro[4.5]decane is sourced from PubChem (CID 56764679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).