1-[(3-bromothiophen-2-yl)methyl]-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione

C15H19BrN2O2S — CID 64874120

IUPAC1-[(3-bromothiophen-2-yl)methyl]-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESCC1NC(=O)C2(CCCCC2)N(Cc2sccc2Br)C1=O
InChIInChI=1S/C15H19BrN2O2S/c1-10-13(19)18(9-12-11(16)5-8-21-12)15(14(20)17-10)6-3-2-4-7-15/h5,8,10H,2-4,6-7,9H2,1H3,(H,17,20)
InChIKeyLEMQDWUTTDSNHO-UHFFFAOYSA-N
MW371.30 g/mol
LogP3.06
Rot. Bonds2

About 1-[(3-bromothiophen-2-yl)methyl]-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione

1-[(3-bromothiophen-2-yl)methyl]-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione (PubChem CID 64874120) has the molecular formula C15H19BrN2O2S and a molecular weight of 371.30 g/mol. Its IUPAC name is 1-[(3-bromothiophen-2-yl)methyl]-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione.

Molecular Properties

Compound Name1-[(3-bromothiophen-2-yl)methyl]-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione
PubChem CID64874120
Molecular FormulaC15H19BrN2O2S
Molecular Weight371.30 g/mol
Exact Mass370.04
IUPAC Name1-[(3-bromothiophen-2-yl)methyl]-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESCC1NC(=O)C2(CCCCC2)N(Cc2sccc2Br)C1=O
InChIInChI=1S/C15H19BrN2O2S/c1-10-13(19)18(9-12-11(16)5-8-21-12)15(14(20)17-10)6-3-2-4-7-15/h5,8,10H,2-4,6-7,9H2,1H3,(H,17,20)
InChIKeyLEMQDWUTTDSNHO-UHFFFAOYSA-N
XLogP3.06
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.30
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromothiophen-2-yl)methyl]-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione?
The IUPAC name of 1-[(3-bromothiophen-2-yl)methyl]-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione (CID 64874120) is 1-[(3-bromothiophen-2-yl)methyl]-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione.
What is the SMILES notation for 1-[(3-bromothiophen-2-yl)methyl]-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione?
The canonical SMILES for 1-[(3-bromothiophen-2-yl)methyl]-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione is CC1NC(=O)C2(CCCCC2)N(Cc2sccc2Br)C1=O.
What is the InChIKey of 1-[(3-bromothiophen-2-yl)methyl]-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione?
The InChIKey is LEMQDWUTTDSNHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O2S/c1-10-13(19)18(9-12-11(16)5-8-21-12)15(14(20)17-10)6-3-2-4-7-15/h5,8,10H,2-4,6-7,9H2,1H3,(H,17,20).
What are the key properties of 1-[(3-bromothiophen-2-yl)methyl]-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione?
1-[(3-bromothiophen-2-yl)methyl]-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione has a molecular weight of 371.30 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromothiophen-2-yl)methyl]-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione is sourced from PubChem (CID 64874120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).