N-[(5-bromo-4-methylthiophen-3-yl)methyl]-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxamide

C15H20BrN3O2S — CID 175952183

IUPACN-[(5-bromo-4-methylthiophen-3-yl)methyl]-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxamide
SMILESCc1c(CNC(=O)N2CCC3(CC2)CNC(=O)C3)csc1Br
InChIInChI=1S/C15H20BrN3O2S/c1-10-11(8-22-13(10)16)7-17-14(21)19-4-2-15(3-5-19)6-12(20)18-9-15/h8H,2-7,9H2,1H3,(H,17,21)(H,18,20)
InChIKeyQFXCKWCEGKVEBY-UHFFFAOYSA-N
MW386.32 g/mol
LogP2.63
Rot. Bonds2

About N-[(5-bromo-4-methylthiophen-3-yl)methyl]-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxamide

N-[(5-bromo-4-methylthiophen-3-yl)methyl]-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxamide (PubChem CID 175952183) has the molecular formula C15H20BrN3O2S and a molecular weight of 386.32 g/mol. Its IUPAC name is N-[(5-bromo-4-methylthiophen-3-yl)methyl]-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound NameN-[(5-bromo-4-methylthiophen-3-yl)methyl]-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxamide
PubChem CID175952183
Molecular FormulaC15H20BrN3O2S
Molecular Weight386.32 g/mol
Exact Mass385.05
IUPAC NameN-[(5-bromo-4-methylthiophen-3-yl)methyl]-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxamide
SMILESCc1c(CNC(=O)N2CCC3(CC2)CNC(=O)C3)csc1Br
InChIInChI=1S/C15H20BrN3O2S/c1-10-11(8-22-13(10)16)7-17-14(21)19-4-2-15(3-5-19)6-12(20)18-9-15/h8H,2-7,9H2,1H3,(H,17,21)(H,18,20)
InChIKeyQFXCKWCEGKVEBY-UHFFFAOYSA-N
XLogP2.63
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.32
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-4-methylthiophen-3-yl)methyl]-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxamide?
The IUPAC name of N-[(5-bromo-4-methylthiophen-3-yl)methyl]-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxamide (CID 175952183) is N-[(5-bromo-4-methylthiophen-3-yl)methyl]-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for N-[(5-bromo-4-methylthiophen-3-yl)methyl]-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for N-[(5-bromo-4-methylthiophen-3-yl)methyl]-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxamide is Cc1c(CNC(=O)N2CCC3(CC2)CNC(=O)C3)csc1Br.
What is the InChIKey of N-[(5-bromo-4-methylthiophen-3-yl)methyl]-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxamide?
The InChIKey is QFXCKWCEGKVEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O2S/c1-10-11(8-22-13(10)16)7-17-14(21)19-4-2-15(3-5-19)6-12(20)18-9-15/h8H,2-7,9H2,1H3,(H,17,21)(H,18,20).
What are the key properties of N-[(5-bromo-4-methylthiophen-3-yl)methyl]-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxamide?
N-[(5-bromo-4-methylthiophen-3-yl)methyl]-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxamide has a molecular weight of 386.32 g/mol, XLogP of 2.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-4-methylthiophen-3-yl)methyl]-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 175952183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).