9-[(5-methylthiophen-2-yl)methyl]-1,9-diazaspiro[4.6]undecan-2-one

C15H22N2OS — CID 118742267

IUPAC9-[(5-methylthiophen-2-yl)methyl]-1,9-diazaspiro[4.6]undecan-2-one
SMILESCc1ccc(CN2CCCC3(CCC(=O)N3)CC2)s1
InChIInChI=1S/C15H22N2OS/c1-12-3-4-13(19-12)11-17-9-2-6-15(8-10-17)7-5-14(18)16-15/h3-4H,2,5-11H2,1H3,(H,16,18)
InChIKeyTWWBFMKWGQFZNH-UHFFFAOYSA-N
MW278.42 g/mol
LogP2.69
Rot. Bonds2

About 9-[(5-methylthiophen-2-yl)methyl]-1,9-diazaspiro[4.6]undecan-2-one

9-[(5-methylthiophen-2-yl)methyl]-1,9-diazaspiro[4.6]undecan-2-one (PubChem CID 118742267) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is 9-[(5-methylthiophen-2-yl)methyl]-1,9-diazaspiro[4.6]undecan-2-one.

Molecular Properties

Compound Name9-[(5-methylthiophen-2-yl)methyl]-1,9-diazaspiro[4.6]undecan-2-one
PubChem CID118742267
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name9-[(5-methylthiophen-2-yl)methyl]-1,9-diazaspiro[4.6]undecan-2-one
SMILESCc1ccc(CN2CCCC3(CCC(=O)N3)CC2)s1
InChIInChI=1S/C15H22N2OS/c1-12-3-4-13(19-12)11-17-9-2-6-15(8-10-17)7-5-14(18)16-15/h3-4H,2,5-11H2,1H3,(H,16,18)
InChIKeyTWWBFMKWGQFZNH-UHFFFAOYSA-N
XLogP2.69
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-[(5-methylthiophen-2-yl)methyl]-1,9-diazaspiro[4.6]undecan-2-one?
The IUPAC name of 9-[(5-methylthiophen-2-yl)methyl]-1,9-diazaspiro[4.6]undecan-2-one (CID 118742267) is 9-[(5-methylthiophen-2-yl)methyl]-1,9-diazaspiro[4.6]undecan-2-one.
What is the SMILES notation for 9-[(5-methylthiophen-2-yl)methyl]-1,9-diazaspiro[4.6]undecan-2-one?
The canonical SMILES for 9-[(5-methylthiophen-2-yl)methyl]-1,9-diazaspiro[4.6]undecan-2-one is Cc1ccc(CN2CCCC3(CCC(=O)N3)CC2)s1.
What is the InChIKey of 9-[(5-methylthiophen-2-yl)methyl]-1,9-diazaspiro[4.6]undecan-2-one?
The InChIKey is TWWBFMKWGQFZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-12-3-4-13(19-12)11-17-9-2-6-15(8-10-17)7-5-14(18)16-15/h3-4H,2,5-11H2,1H3,(H,16,18).
What are the key properties of 9-[(5-methylthiophen-2-yl)methyl]-1,9-diazaspiro[4.6]undecan-2-one?
9-[(5-methylthiophen-2-yl)methyl]-1,9-diazaspiro[4.6]undecan-2-one has a molecular weight of 278.42 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(5-methylthiophen-2-yl)methyl]-1,9-diazaspiro[4.6]undecan-2-one is sourced from PubChem (CID 118742267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).