[8-(dimethylamino)-8-(5-methylthiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]-phenylmethanone

C23H30N2OS — CID 118666639

IUPAC[8-(dimethylamino)-8-(5-methylthiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]-phenylmethanone
SMILESCc1ccc(C2(N(C)C)CCC3(CCN(C(=O)c4ccccc4)C3)CC2)s1
InChIInChI=1S/C23H30N2OS/c1-18-9-10-20(27-18)23(24(2)3)13-11-22(12-14-23)15-16-25(17-22)21(26)19-7-5-4-6-8-19/h4-10H,11-17H2,1-3H3
InChIKeyLFQAMLNZDJGXCP-UHFFFAOYSA-N
MW382.57 g/mol
LogP4.92
Rot. Bonds3

About [8-(dimethylamino)-8-(5-methylthiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]-phenylmethanone

[8-(dimethylamino)-8-(5-methylthiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]-phenylmethanone (PubChem CID 118666639) has the molecular formula C23H30N2OS and a molecular weight of 382.57 g/mol. Its IUPAC name is [8-(dimethylamino)-8-(5-methylthiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[8-(dimethylamino)-8-(5-methylthiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]-phenylmethanone
PubChem CID118666639
Molecular FormulaC23H30N2OS
Molecular Weight382.57 g/mol
Exact Mass382.21
IUPAC Name[8-(dimethylamino)-8-(5-methylthiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]-phenylmethanone
SMILESCc1ccc(C2(N(C)C)CCC3(CCN(C(=O)c4ccccc4)C3)CC2)s1
InChIInChI=1S/C23H30N2OS/c1-18-9-10-20(27-18)23(24(2)3)13-11-22(12-14-23)15-16-25(17-22)21(26)19-7-5-4-6-8-19/h4-10H,11-17H2,1-3H3
InChIKeyLFQAMLNZDJGXCP-UHFFFAOYSA-N
XLogP4.92
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.57
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [8-(dimethylamino)-8-(5-methylthiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]-phenylmethanone?
The IUPAC name of [8-(dimethylamino)-8-(5-methylthiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]-phenylmethanone (CID 118666639) is [8-(dimethylamino)-8-(5-methylthiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]-phenylmethanone.
What is the SMILES notation for [8-(dimethylamino)-8-(5-methylthiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]-phenylmethanone?
The canonical SMILES for [8-(dimethylamino)-8-(5-methylthiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]-phenylmethanone is Cc1ccc(C2(N(C)C)CCC3(CCN(C(=O)c4ccccc4)C3)CC2)s1.
What is the InChIKey of [8-(dimethylamino)-8-(5-methylthiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]-phenylmethanone?
The InChIKey is LFQAMLNZDJGXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2OS/c1-18-9-10-20(27-18)23(24(2)3)13-11-22(12-14-23)15-16-25(17-22)21(26)19-7-5-4-6-8-19/h4-10H,11-17H2,1-3H3.
What are the key properties of [8-(dimethylamino)-8-(5-methylthiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]-phenylmethanone?
[8-(dimethylamino)-8-(5-methylthiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]-phenylmethanone has a molecular weight of 382.57 g/mol, XLogP of 4.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(dimethylamino)-8-(5-methylthiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]-phenylmethanone is sourced from PubChem (CID 118666639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).