9-[(4-bromothiophen-2-yl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione

C14H17BrN2O2S — CID 64885149

IUPAC9-[(4-bromothiophen-2-yl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione
SMILESCC1C(=O)NC2(CCCC2)C(=O)N1Cc1cc(Br)cs1
InChIInChI=1S/C14H17BrN2O2S/c1-9-12(18)16-14(4-2-3-5-14)13(19)17(9)7-11-6-10(15)8-20-11/h6,8-9H,2-5,7H2,1H3,(H,16,18)
InChIKeyIGQKMBIVZDOKBI-UHFFFAOYSA-N
MW357.27 g/mol
LogP2.67
Rot. Bonds2

About 9-[(4-bromothiophen-2-yl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione

9-[(4-bromothiophen-2-yl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione (PubChem CID 64885149) has the molecular formula C14H17BrN2O2S and a molecular weight of 357.27 g/mol. Its IUPAC name is 9-[(4-bromothiophen-2-yl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione.

Molecular Properties

Compound Name9-[(4-bromothiophen-2-yl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione
PubChem CID64885149
Molecular FormulaC14H17BrN2O2S
Molecular Weight357.27 g/mol
Exact Mass356.02
IUPAC Name9-[(4-bromothiophen-2-yl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione
SMILESCC1C(=O)NC2(CCCC2)C(=O)N1Cc1cc(Br)cs1
InChIInChI=1S/C14H17BrN2O2S/c1-9-12(18)16-14(4-2-3-5-14)13(19)17(9)7-11-6-10(15)8-20-11/h6,8-9H,2-5,7H2,1H3,(H,16,18)
InChIKeyIGQKMBIVZDOKBI-UHFFFAOYSA-N
XLogP2.67
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.27
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 9-[(4-bromothiophen-2-yl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione with MolForge

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Related Compounds

1-[(4-bromothiophen-2-yl)methyl]-3,3,6-trimethylpiperazine-2,5-dione
CID 64875367
8-methyl-9-[(2-methyl-1,3-thiazol-5-yl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64965905
1-[(4-bromothiophen-2-yl)methyl]-6-methylpiperazine-2,5-dione
CID 64879457
8-methyl-9-[(4-methylphenyl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64886488
3-methyl-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64968359
8-methyl-9-propyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64886681
8-methyl-9-(2,2,2-trifluoroethyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64887442
4-(cyclopropylmethyl)-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64887432
3-methyl-4-[(1-methylpyrazol-3-yl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 82872643
8-methyl-9-(pyridazin-3-ylmethyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 106898029
(6R)-7-benzyl-6-methyl-4,7-diazaspiro[2.5]octane-5,8-dione
CID 58542438
9-(cyclohexylmethyl)-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64886872

Frequently Asked Questions

What is the IUPAC name of 9-[(4-bromothiophen-2-yl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione?
The IUPAC name of 9-[(4-bromothiophen-2-yl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione (CID 64885149) is 9-[(4-bromothiophen-2-yl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione.
What is the SMILES notation for 9-[(4-bromothiophen-2-yl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione?
The canonical SMILES for 9-[(4-bromothiophen-2-yl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione is CC1C(=O)NC2(CCCC2)C(=O)N1Cc1cc(Br)cs1.
What is the InChIKey of 9-[(4-bromothiophen-2-yl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione?
The InChIKey is IGQKMBIVZDOKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O2S/c1-9-12(18)16-14(4-2-3-5-14)13(19)17(9)7-11-6-10(15)8-20-11/h6,8-9H,2-5,7H2,1H3,(H,16,18).
What are the key properties of 9-[(4-bromothiophen-2-yl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione?
9-[(4-bromothiophen-2-yl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione has a molecular weight of 357.27 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(4-bromothiophen-2-yl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione is sourced from PubChem (CID 64885149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).