8-(3-bromothiophen-2-yl)sulfonyl-8-azaspiro[4.5]decane

C13H18BrNO2S2 — CID 63162262

IUPAC8-(3-bromothiophen-2-yl)sulfonyl-8-azaspiro[4.5]decane
SMILESO=S(=O)(c1sccc1Br)N1CCC2(CCCC2)CC1
InChIInChI=1S/C13H18BrNO2S2/c14-11-3-10-18-12(11)19(16,17)15-8-6-13(7-9-15)4-1-2-5-13/h3,10H,1-2,4-9H2
InChIKeyKIBQCRSDWIDSBZ-UHFFFAOYSA-N
MW364.33 g/mol
LogP3.86
Rot. Bonds2

About 8-(3-bromothiophen-2-yl)sulfonyl-8-azaspiro[4.5]decane

8-(3-bromothiophen-2-yl)sulfonyl-8-azaspiro[4.5]decane (PubChem CID 63162262) has the molecular formula C13H18BrNO2S2 and a molecular weight of 364.33 g/mol. Its IUPAC name is 8-(3-bromothiophen-2-yl)sulfonyl-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-(3-bromothiophen-2-yl)sulfonyl-8-azaspiro[4.5]decane
PubChem CID63162262
Molecular FormulaC13H18BrNO2S2
Molecular Weight364.33 g/mol
Exact Mass363.00
IUPAC Name8-(3-bromothiophen-2-yl)sulfonyl-8-azaspiro[4.5]decane
SMILESO=S(=O)(c1sccc1Br)N1CCC2(CCCC2)CC1
InChIInChI=1S/C13H18BrNO2S2/c14-11-3-10-18-12(11)19(16,17)15-8-6-13(7-9-15)4-1-2-5-13/h3,10H,1-2,4-9H2
InChIKeyKIBQCRSDWIDSBZ-UHFFFAOYSA-N
XLogP3.86
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.33
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(3-bromothiophen-2-yl)sulfonyl-8-azaspiro[4.5]decane?
The IUPAC name of 8-(3-bromothiophen-2-yl)sulfonyl-8-azaspiro[4.5]decane (CID 63162262) is 8-(3-bromothiophen-2-yl)sulfonyl-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-(3-bromothiophen-2-yl)sulfonyl-8-azaspiro[4.5]decane?
The canonical SMILES for 8-(3-bromothiophen-2-yl)sulfonyl-8-azaspiro[4.5]decane is O=S(=O)(c1sccc1Br)N1CCC2(CCCC2)CC1.
What is the InChIKey of 8-(3-bromothiophen-2-yl)sulfonyl-8-azaspiro[4.5]decane?
The InChIKey is KIBQCRSDWIDSBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2S2/c14-11-3-10-18-12(11)19(16,17)15-8-6-13(7-9-15)4-1-2-5-13/h3,10H,1-2,4-9H2.
What are the key properties of 8-(3-bromothiophen-2-yl)sulfonyl-8-azaspiro[4.5]decane?
8-(3-bromothiophen-2-yl)sulfonyl-8-azaspiro[4.5]decane has a molecular weight of 364.33 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-bromothiophen-2-yl)sulfonyl-8-azaspiro[4.5]decane is sourced from PubChem (CID 63162262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).