1-methyl-8-(thiophen-2-ylmethyl)-1,8-diazaspiro[5.5]undecan-2-one

C15H22N2OS — CID 118742310

IUPAC1-methyl-8-(thiophen-2-ylmethyl)-1,8-diazaspiro[5.5]undecan-2-one
SMILESCN1C(=O)CCCC12CCCN(Cc1cccs1)C2
InChIInChI=1S/C15H22N2OS/c1-16-14(18)6-2-7-15(16)8-4-9-17(12-15)11-13-5-3-10-19-13/h3,5,10H,2,4,6-9,11-12H2,1H3
InChIKeyXCHVUMMIKRIEPD-UHFFFAOYSA-N
MW278.42 g/mol
LogP2.72
Rot. Bonds2

About 1-methyl-8-(thiophen-2-ylmethyl)-1,8-diazaspiro[5.5]undecan-2-one

1-methyl-8-(thiophen-2-ylmethyl)-1,8-diazaspiro[5.5]undecan-2-one (PubChem CID 118742310) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is 1-methyl-8-(thiophen-2-ylmethyl)-1,8-diazaspiro[5.5]undecan-2-one.

Molecular Properties

Compound Name1-methyl-8-(thiophen-2-ylmethyl)-1,8-diazaspiro[5.5]undecan-2-one
PubChem CID118742310
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name1-methyl-8-(thiophen-2-ylmethyl)-1,8-diazaspiro[5.5]undecan-2-one
SMILESCN1C(=O)CCCC12CCCN(Cc1cccs1)C2
InChIInChI=1S/C15H22N2OS/c1-16-14(18)6-2-7-15(16)8-4-9-17(12-15)11-13-5-3-10-19-13/h3,5,10H,2,4,6-9,11-12H2,1H3
InChIKeyXCHVUMMIKRIEPD-UHFFFAOYSA-N
XLogP2.72
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-8-(thiophen-2-ylmethyl)-1,8-diazaspiro[5.5]undecan-2-one?
The IUPAC name of 1-methyl-8-(thiophen-2-ylmethyl)-1,8-diazaspiro[5.5]undecan-2-one (CID 118742310) is 1-methyl-8-(thiophen-2-ylmethyl)-1,8-diazaspiro[5.5]undecan-2-one.
What is the SMILES notation for 1-methyl-8-(thiophen-2-ylmethyl)-1,8-diazaspiro[5.5]undecan-2-one?
The canonical SMILES for 1-methyl-8-(thiophen-2-ylmethyl)-1,8-diazaspiro[5.5]undecan-2-one is CN1C(=O)CCCC12CCCN(Cc1cccs1)C2.
What is the InChIKey of 1-methyl-8-(thiophen-2-ylmethyl)-1,8-diazaspiro[5.5]undecan-2-one?
The InChIKey is XCHVUMMIKRIEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-16-14(18)6-2-7-15(16)8-4-9-17(12-15)11-13-5-3-10-19-13/h3,5,10H,2,4,6-9,11-12H2,1H3.
What are the key properties of 1-methyl-8-(thiophen-2-ylmethyl)-1,8-diazaspiro[5.5]undecan-2-one?
1-methyl-8-(thiophen-2-ylmethyl)-1,8-diazaspiro[5.5]undecan-2-one has a molecular weight of 278.42 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-8-(thiophen-2-ylmethyl)-1,8-diazaspiro[5.5]undecan-2-one is sourced from PubChem (CID 118742310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).