8-[(5-methylthiophen-2-yl)methyl]-1,8-diazaspiro[5.5]undecan-2-one

C15H22N2OS — CID 118742260

IUPAC8-[(5-methylthiophen-2-yl)methyl]-1,8-diazaspiro[5.5]undecan-2-one
SMILESCc1ccc(CN2CCCC3(CCCC(=O)N3)C2)s1
InChIInChI=1S/C15H22N2OS/c1-12-5-6-13(19-12)10-17-9-3-8-15(11-17)7-2-4-14(18)16-15/h5-6H,2-4,7-11H2,1H3,(H,16,18)
InChIKeyDSXCFCMLQAHBJF-UHFFFAOYSA-N
MW278.42 g/mol
LogP2.69
Rot. Bonds2

About 8-[(5-methylthiophen-2-yl)methyl]-1,8-diazaspiro[5.5]undecan-2-one

8-[(5-methylthiophen-2-yl)methyl]-1,8-diazaspiro[5.5]undecan-2-one (PubChem CID 118742260) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is 8-[(5-methylthiophen-2-yl)methyl]-1,8-diazaspiro[5.5]undecan-2-one.

Molecular Properties

Compound Name8-[(5-methylthiophen-2-yl)methyl]-1,8-diazaspiro[5.5]undecan-2-one
PubChem CID118742260
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name8-[(5-methylthiophen-2-yl)methyl]-1,8-diazaspiro[5.5]undecan-2-one
SMILESCc1ccc(CN2CCCC3(CCCC(=O)N3)C2)s1
InChIInChI=1S/C15H22N2OS/c1-12-5-6-13(19-12)10-17-9-3-8-15(11-17)7-2-4-14(18)16-15/h5-6H,2-4,7-11H2,1H3,(H,16,18)
InChIKeyDSXCFCMLQAHBJF-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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Related Compounds

N-(1-(4-methylpiperazin-1-yl)-1-(thiophen-2-yl)propan-2-yl)cyclohexanecarboxamide
CID 5310190
9-[(5-Methylthiophen-2-yl)methyl]-1,9-diazaspiro[5.5]undecan-2-one
CID 97370782
(5S,10S)-10-ethyl-1-methyl-9-[(5-methylthiophen-2-yl)methyl]-1,9-diazaspiro[4.5]decan-2-one
CID 97375554
1-Ethyl-8-(3-methylthiophene-2-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one
CID 118738809
1-Methyl-8-(thiophen-2-ylmethyl)-1,8-diazaspiro[5.5]undecan-2-one
CID 118742310
1-Methyl-8-[(5-methylthiophen-2-yl)methyl]-1,8-diazaspiro[5.5]undecan-2-one
CID 118744739
1-[2-(Dimethylamino)ethyl]-8-(thiophen-2-ylmethyl)-1,8-diazaspiro[5.5]undecan-2-one
CID 118745563
(4aS*,8aR*)-1-[2-(methylamino)ethyl]-6-(2-thienylacetyl)octahydro-1,6-naphthyridin-2(1H)-one
CID 56904408
N-[(1-piperidin-1-ylcyclohexyl)methyl]-2-thiophen-2-ylacetamide
CID 2462540
1-[acetyl(thiophen-2-ylmethyl)amino]-N-cyclohexylcyclohexanecarboxamide
CID 3290869
1-[(N-acetylglycyl)(thiophen-2-ylmethyl)amino]-N-cyclohexylcyclohexanecarboxamide
CID 5144942
N-(2-(dimethylamino)-2-(thiophen-2-yl)ethyl)cyclohexanecarboxamide
CID 18161752

Frequently Asked Questions

What is the IUPAC name of 8-[(5-methylthiophen-2-yl)methyl]-1,8-diazaspiro[5.5]undecan-2-one?
The IUPAC name of 8-[(5-methylthiophen-2-yl)methyl]-1,8-diazaspiro[5.5]undecan-2-one (CID 118742260) is 8-[(5-methylthiophen-2-yl)methyl]-1,8-diazaspiro[5.5]undecan-2-one.
What is the SMILES notation for 8-[(5-methylthiophen-2-yl)methyl]-1,8-diazaspiro[5.5]undecan-2-one?
The canonical SMILES for 8-[(5-methylthiophen-2-yl)methyl]-1,8-diazaspiro[5.5]undecan-2-one is Cc1ccc(CN2CCCC3(CCCC(=O)N3)C2)s1.
What is the InChIKey of 8-[(5-methylthiophen-2-yl)methyl]-1,8-diazaspiro[5.5]undecan-2-one?
The InChIKey is DSXCFCMLQAHBJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-12-5-6-13(19-12)10-17-9-3-8-15(11-17)7-2-4-14(18)16-15/h5-6H,2-4,7-11H2,1H3,(H,16,18).
What are the key properties of 8-[(5-methylthiophen-2-yl)methyl]-1,8-diazaspiro[5.5]undecan-2-one?
8-[(5-methylthiophen-2-yl)methyl]-1,8-diazaspiro[5.5]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 8-[(5-methylthiophen-2-yl)methyl]-1,8-diazaspiro[5.5]undecan-2-one is sourced from PubChem (CID 118742260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).