10-[2-(5-bromothiophen-2-yl)ethyl]-6,10-diazaspiro[4.6]undecane

C15H23BrN2S — CID 106044171

IUPAC10-[2-(5-bromothiophen-2-yl)ethyl]-6,10-diazaspiro[4.6]undecane
SMILESBrc1ccc(CCN2CCCNC3(CCCC3)C2)s1
InChIInChI=1S/C15H23BrN2S/c16-14-5-4-13(19-14)6-11-18-10-3-9-17-15(12-18)7-1-2-8-15/h4-5,17H,1-3,6-12H2
InChIKeyLKZMAKOYIRRZJQ-UHFFFAOYSA-N
MW343.33 g/mol
LogP3.66
Rot. Bonds3

About 10-[2-(5-bromothiophen-2-yl)ethyl]-6,10-diazaspiro[4.6]undecane

10-[2-(5-bromothiophen-2-yl)ethyl]-6,10-diazaspiro[4.6]undecane (PubChem CID 106044171) has the molecular formula C15H23BrN2S and a molecular weight of 343.33 g/mol. Its IUPAC name is 10-[2-(5-bromothiophen-2-yl)ethyl]-6,10-diazaspiro[4.6]undecane.

Molecular Properties

Compound Name10-[2-(5-bromothiophen-2-yl)ethyl]-6,10-diazaspiro[4.6]undecane
PubChem CID106044171
Molecular FormulaC15H23BrN2S
Molecular Weight343.33 g/mol
Exact Mass342.08
IUPAC Name10-[2-(5-bromothiophen-2-yl)ethyl]-6,10-diazaspiro[4.6]undecane
SMILESBrc1ccc(CCN2CCCNC3(CCCC3)C2)s1
InChIInChI=1S/C15H23BrN2S/c16-14-5-4-13(19-14)6-11-18-10-3-9-17-15(12-18)7-1-2-8-15/h4-5,17H,1-3,6-12H2
InChIKeyLKZMAKOYIRRZJQ-UHFFFAOYSA-N
XLogP3.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.33
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 10-[2-(5-bromothiophen-2-yl)ethyl]-6,10-diazaspiro[4.6]undecane with MolForge

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Related Compounds

1-[(5-bromothiophen-2-yl)methyl]-3,3-dimethyl-1,4-diazepane
CID 64869691
11-[(5-bromothiophen-2-yl)methyl]-10-methyl-7,11-diazaspiro[5.6]dodecane
CID 64870765
10-[(4-bromophenyl)methyl]-6,10-diazaspiro[4.6]undecane
CID 64869301
10-[2-(3-methylphenyl)ethyl]-6,10-diazaspiro[4.6]undecane
CID 64949372
4-[2-(6,10-diazaspiro[4.6]undecan-10-yl)ethyl]-2-methyl-1,3-thiazole
CID 106043606
9-(2-phenylethyl)-6,9-diazaspiro[4.5]decane
CID 64834067
11-propyl-7,11-diazaspiro[5.6]dodecane
CID 64857663
11-(thiophen-2-ylmethyl)-7,11-diazaspiro[5.6]dodecane
CID 64858031
1-[2-(5-chlorothiophen-2-yl)ethyl]-3,3-diethyl-1,4-diazepane
CID 106043811
1-[(5-bromothiophen-2-yl)methyl]-3-methyl-3-phenyl-1,4-diazepane
CID 64871911
4-[(5-bromothiophen-2-yl)methyl]-3,3-dimethyl-1,4-diazaspiro[5.5]undecane
CID 64877632
10-(2-cyclopentylethyl)-6,10-diazaspiro[4.6]undecane
CID 64942433

Frequently Asked Questions

What is the IUPAC name of 10-[2-(5-bromothiophen-2-yl)ethyl]-6,10-diazaspiro[4.6]undecane?
The IUPAC name of 10-[2-(5-bromothiophen-2-yl)ethyl]-6,10-diazaspiro[4.6]undecane (CID 106044171) is 10-[2-(5-bromothiophen-2-yl)ethyl]-6,10-diazaspiro[4.6]undecane.
What is the SMILES notation for 10-[2-(5-bromothiophen-2-yl)ethyl]-6,10-diazaspiro[4.6]undecane?
The canonical SMILES for 10-[2-(5-bromothiophen-2-yl)ethyl]-6,10-diazaspiro[4.6]undecane is Brc1ccc(CCN2CCCNC3(CCCC3)C2)s1.
What is the InChIKey of 10-[2-(5-bromothiophen-2-yl)ethyl]-6,10-diazaspiro[4.6]undecane?
The InChIKey is LKZMAKOYIRRZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2S/c16-14-5-4-13(19-14)6-11-18-10-3-9-17-15(12-18)7-1-2-8-15/h4-5,17H,1-3,6-12H2.
What are the key properties of 10-[2-(5-bromothiophen-2-yl)ethyl]-6,10-diazaspiro[4.6]undecane?
10-[2-(5-bromothiophen-2-yl)ethyl]-6,10-diazaspiro[4.6]undecane has a molecular weight of 343.33 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-(5-bromothiophen-2-yl)ethyl]-6,10-diazaspiro[4.6]undecane is sourced from PubChem (CID 106044171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).