2-(2,5-dibromothiophen-3-yl)sulfonyl-2,8-diazaspiro[5.5]undecane

C13H18Br2N2O2S2 — CID 102849983

IUPAC2-(2,5-dibromothiophen-3-yl)sulfonyl-2,8-diazaspiro[5.5]undecane
SMILESO=S(=O)(c1cc(Br)sc1Br)N1CCCC2(CCCNC2)C1
InChIInChI=1S/C13H18Br2N2O2S2/c14-11-7-10(12(15)20-11)21(18,19)17-6-2-4-13(9-17)3-1-5-16-8-13/h7,16H,1-6,8-9H2
InChIKeyWQJUHOQHWCQLLV-UHFFFAOYSA-N
MW458.24 g/mol
LogP3.43
Rot. Bonds2

About 2-(2,5-dibromothiophen-3-yl)sulfonyl-2,8-diazaspiro[5.5]undecane

2-(2,5-dibromothiophen-3-yl)sulfonyl-2,8-diazaspiro[5.5]undecane (PubChem CID 102849983) has the molecular formula C13H18Br2N2O2S2 and a molecular weight of 458.24 g/mol. Its IUPAC name is 2-(2,5-dibromothiophen-3-yl)sulfonyl-2,8-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name2-(2,5-dibromothiophen-3-yl)sulfonyl-2,8-diazaspiro[5.5]undecane
PubChem CID102849983
Molecular FormulaC13H18Br2N2O2S2
Molecular Weight458.24 g/mol
Exact Mass455.92
IUPAC Name2-(2,5-dibromothiophen-3-yl)sulfonyl-2,8-diazaspiro[5.5]undecane
SMILESO=S(=O)(c1cc(Br)sc1Br)N1CCCC2(CCCNC2)C1
InChIInChI=1S/C13H18Br2N2O2S2/c14-11-7-10(12(15)20-11)21(18,19)17-6-2-4-13(9-17)3-1-5-16-8-13/h7,16H,1-6,8-9H2
InChIKeyWQJUHOQHWCQLLV-UHFFFAOYSA-N
XLogP3.43
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.24
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-(2,5-dimethylthiophen-3-yl)sulfonyl-2,7-diazaspiro[4.5]decane
CID 122556209
1-(2,5-dibromothiophen-3-yl)sulfonylpyrrolidine
CID 60652131
2-(2-fluorophenyl)sulfonyl-2,8-diazaspiro[5.5]undecane
CID 102849967
2-(2-methylphenyl)sulfonyl-2,8-diazaspiro[5.5]undecane
CID 102850032
2-(5-methylthiophen-2-yl)sulfonyl-2,8-diazaspiro[5.5]undecane
CID 102850015
4-(2,5-dibromothiophen-3-yl)sulfonylpiperazine-2,6-dione
CID 66083813
7-(2,3-dichlorophenyl)sulfonyl-2,7-diazaspiro[4.5]decane
CID 56747043
(6R)-2-propan-2-ylsulfonyl-2,8-diazaspiro[5.5]undecane
CID 97449155
2-(5-chloro-2-methoxyphenyl)sulfonyl-2,9-diazaspiro[4.5]decane;hydrochloride
CID 154887610
(3S)-1-(2,5-dibromothiophen-3-yl)sulfonylpiperidin-3-ol
CID 93084326
6-[[(5S)-2,9-diazaspiro[4.5]decan-2-yl]sulfonyl]-3H-1,3-benzoxazol-2-one
CID 95230701
1-(5-bromo-2-methylthiophen-3-yl)sulfonyl-1,4-diazepane;hydrochloride
CID 119963191

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dibromothiophen-3-yl)sulfonyl-2,8-diazaspiro[5.5]undecane?
The IUPAC name of 2-(2,5-dibromothiophen-3-yl)sulfonyl-2,8-diazaspiro[5.5]undecane (CID 102849983) is 2-(2,5-dibromothiophen-3-yl)sulfonyl-2,8-diazaspiro[5.5]undecane.
What is the SMILES notation for 2-(2,5-dibromothiophen-3-yl)sulfonyl-2,8-diazaspiro[5.5]undecane?
The canonical SMILES for 2-(2,5-dibromothiophen-3-yl)sulfonyl-2,8-diazaspiro[5.5]undecane is O=S(=O)(c1cc(Br)sc1Br)N1CCCC2(CCCNC2)C1.
What is the InChIKey of 2-(2,5-dibromothiophen-3-yl)sulfonyl-2,8-diazaspiro[5.5]undecane?
The InChIKey is WQJUHOQHWCQLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Br2N2O2S2/c14-11-7-10(12(15)20-11)21(18,19)17-6-2-4-13(9-17)3-1-5-16-8-13/h7,16H,1-6,8-9H2.
What are the key properties of 2-(2,5-dibromothiophen-3-yl)sulfonyl-2,8-diazaspiro[5.5]undecane?
2-(2,5-dibromothiophen-3-yl)sulfonyl-2,8-diazaspiro[5.5]undecane has a molecular weight of 458.24 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dibromothiophen-3-yl)sulfonyl-2,8-diazaspiro[5.5]undecane is sourced from PubChem (CID 102849983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).