11-[(5-bromothiophen-2-yl)methyl]-10-methyl-7,11-diazaspiro[5.6]dodecane

C16H25BrN2S — CID 64870765

IUPAC11-[(5-bromothiophen-2-yl)methyl]-10-methyl-7,11-diazaspiro[5.6]dodecane
SMILESCC1CCNC2(CCCCC2)CN1Cc1ccc(Br)s1
InChIInChI=1S/C16H25BrN2S/c1-13-7-10-18-16(8-3-2-4-9-16)12-19(13)11-14-5-6-15(17)20-14/h5-6,13,18H,2-4,7-12H2,1H3
InChIKeyVJESAKBHBUOSKQ-UHFFFAOYSA-N
MW357.36 g/mol
LogP4.40
Rot. Bonds2

About 11-[(5-bromothiophen-2-yl)methyl]-10-methyl-7,11-diazaspiro[5.6]dodecane

11-[(5-bromothiophen-2-yl)methyl]-10-methyl-7,11-diazaspiro[5.6]dodecane (PubChem CID 64870765) has the molecular formula C16H25BrN2S and a molecular weight of 357.36 g/mol. Its IUPAC name is 11-[(5-bromothiophen-2-yl)methyl]-10-methyl-7,11-diazaspiro[5.6]dodecane.

Molecular Properties

Compound Name11-[(5-bromothiophen-2-yl)methyl]-10-methyl-7,11-diazaspiro[5.6]dodecane
PubChem CID64870765
Molecular FormulaC16H25BrN2S
Molecular Weight357.36 g/mol
Exact Mass356.09
IUPAC Name11-[(5-bromothiophen-2-yl)methyl]-10-methyl-7,11-diazaspiro[5.6]dodecane
SMILESCC1CCNC2(CCCCC2)CN1Cc1ccc(Br)s1
InChIInChI=1S/C16H25BrN2S/c1-13-7-10-18-16(8-3-2-4-9-16)12-19(13)11-14-5-6-15(17)20-14/h5-6,13,18H,2-4,7-12H2,1H3
InChIKeyVJESAKBHBUOSKQ-UHFFFAOYSA-N
XLogP4.40
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(5-bromothiophen-2-yl)methyl]-3,3-dimethyl-1,4-diazaspiro[5.5]undecane
CID 64877632
10-methyl-11-[(3-methylphenyl)methyl]-7,11-diazaspiro[5.6]dodecane
CID 64870965
10-methyl-11-(pyridin-3-ylmethyl)-7,11-diazaspiro[5.6]dodecane
CID 64872357
3,3-diethyl-1-[(5-ethylthiophen-2-yl)methyl]-7-methyl-1,4-diazepane
CID 64871839
10-methyl-11-propyl-7,11-diazaspiro[5.6]dodecane
CID 64870179
10-[2-(5-bromothiophen-2-yl)ethyl]-6,10-diazaspiro[4.6]undecane
CID 106044171
9-methyl-10-[(2-methyltetrazol-5-yl)methyl]-6,10-diazaspiro[4.6]undecane
CID 107056270
10-[(2-chloro-6-fluorophenyl)methyl]-9-methyl-6,10-diazaspiro[4.6]undecane
CID 64871995
4-[(5-bromothiophen-2-yl)methyl]-5-methyl-1,4-thiazepane
CID 130964381
10-methyl-11-(2,2,2-trifluoroethyl)-7,11-diazaspiro[5.6]dodecane
CID 64871366
11-(2,2-difluoroethyl)-10-methyl-7,11-diazaspiro[5.6]dodecane
CID 64871559
1-[(5-chlorothiophen-2-yl)methyl]-3,3-diethyl-7-methyl-1,4-diazepane
CID 64871838

Frequently Asked Questions

What is the IUPAC name of 11-[(5-bromothiophen-2-yl)methyl]-10-methyl-7,11-diazaspiro[5.6]dodecane?
The IUPAC name of 11-[(5-bromothiophen-2-yl)methyl]-10-methyl-7,11-diazaspiro[5.6]dodecane (CID 64870765) is 11-[(5-bromothiophen-2-yl)methyl]-10-methyl-7,11-diazaspiro[5.6]dodecane.
What is the SMILES notation for 11-[(5-bromothiophen-2-yl)methyl]-10-methyl-7,11-diazaspiro[5.6]dodecane?
The canonical SMILES for 11-[(5-bromothiophen-2-yl)methyl]-10-methyl-7,11-diazaspiro[5.6]dodecane is CC1CCNC2(CCCCC2)CN1Cc1ccc(Br)s1.
What is the InChIKey of 11-[(5-bromothiophen-2-yl)methyl]-10-methyl-7,11-diazaspiro[5.6]dodecane?
The InChIKey is VJESAKBHBUOSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2S/c1-13-7-10-18-16(8-3-2-4-9-16)12-19(13)11-14-5-6-15(17)20-14/h5-6,13,18H,2-4,7-12H2,1H3.
What are the key properties of 11-[(5-bromothiophen-2-yl)methyl]-10-methyl-7,11-diazaspiro[5.6]dodecane?
11-[(5-bromothiophen-2-yl)methyl]-10-methyl-7,11-diazaspiro[5.6]dodecane has a molecular weight of 357.36 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[(5-bromothiophen-2-yl)methyl]-10-methyl-7,11-diazaspiro[5.6]dodecane is sourced from PubChem (CID 64870765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).