6-[(5-bromothiophen-2-yl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane

C14H21BrN2S — CID 64845142

IUPAC6-[(5-bromothiophen-2-yl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane
SMILESCC1CN(Cc2ccc(Br)s2)C2(CCCC2)CN1
InChIInChI=1S/C14H21BrN2S/c1-11-8-17(9-12-4-5-13(15)18-12)14(10-16-11)6-2-3-7-14/h4-5,11,16H,2-3,6-10H2,1H3
InChIKeyBOQCBTYYEYFDIY-UHFFFAOYSA-N
MW329.31 g/mol
LogP3.62
Rot. Bonds2

About 6-[(5-bromothiophen-2-yl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane

6-[(5-bromothiophen-2-yl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane (PubChem CID 64845142) has the molecular formula C14H21BrN2S and a molecular weight of 329.31 g/mol. Its IUPAC name is 6-[(5-bromothiophen-2-yl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name6-[(5-bromothiophen-2-yl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane
PubChem CID64845142
Molecular FormulaC14H21BrN2S
Molecular Weight329.31 g/mol
Exact Mass328.06
IUPAC Name6-[(5-bromothiophen-2-yl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane
SMILESCC1CN(Cc2ccc(Br)s2)C2(CCCC2)CN1
InChIInChI=1S/C14H21BrN2S/c1-11-8-17(9-12-4-5-13(15)18-12)14(10-16-11)6-2-3-7-14/h4-5,11,16H,2-3,6-10H2,1H3
InChIKeyBOQCBTYYEYFDIY-UHFFFAOYSA-N
XLogP3.62
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(5-bromothiophen-2-yl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 64840241
6-[(4-bromophenyl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane
CID 64845332
5-[(3-methyl-1,4-diazaspiro[5.5]undecan-1-yl)methyl]-1,3-thiazole
CID 112644834
6-[(2,6-difluorophenyl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane
CID 114934563
6-[(5-chlorothiophen-2-yl)methyl]-8-(2-methylpropyl)-6,9-diazaspiro[4.5]decane
CID 64848575
4-[(5-bromothiophen-2-yl)methyl]-3,3-dimethyl-1,4-diazaspiro[5.5]undecane
CID 64877632
6-[(2,5-difluorophenyl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane
CID 64844149
6-(2-ethylsulfonylethyl)-8-methyl-6,9-diazaspiro[4.5]decane
CID 106732813
1-[(5-bromothiophen-2-yl)methyl]-5-methyl-2-propylpiperazine
CID 64846473
1-[(5-bromothiophen-2-yl)methyl]-2-ethyl-2-methyl-5-propan-2-ylpiperazine
CID 64840423
8-tert-butyl-6-(thiophen-2-ylmethyl)-6,9-diazaspiro[4.5]decane
CID 64843223
11-[(5-bromothiophen-2-yl)methyl]-10-methyl-7,11-diazaspiro[5.6]dodecane
CID 64870765

Frequently Asked Questions

What is the IUPAC name of 6-[(5-bromothiophen-2-yl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane?
The IUPAC name of 6-[(5-bromothiophen-2-yl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane (CID 64845142) is 6-[(5-bromothiophen-2-yl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 6-[(5-bromothiophen-2-yl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 6-[(5-bromothiophen-2-yl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane is CC1CN(Cc2ccc(Br)s2)C2(CCCC2)CN1.
What is the InChIKey of 6-[(5-bromothiophen-2-yl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane?
The InChIKey is BOQCBTYYEYFDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2S/c1-11-8-17(9-12-4-5-13(15)18-12)14(10-16-11)6-2-3-7-14/h4-5,11,16H,2-3,6-10H2,1H3.
What are the key properties of 6-[(5-bromothiophen-2-yl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane?
6-[(5-bromothiophen-2-yl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane has a molecular weight of 329.31 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-bromothiophen-2-yl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 64845142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).