2-(cyclopentylmethyl)-8-(dimethylamino)-8-(5-methylthiophen-2-yl)-2-azaspiro[4.5]decan-3-one

C22H34N2OS — CID 118662352

IUPAC2-(cyclopentylmethyl)-8-(dimethylamino)-8-(5-methylthiophen-2-yl)-2-azaspiro[4.5]decan-3-one
SMILESCc1ccc(C2(N(C)C)CCC3(CC2)CC(=O)N(CC2CCCC2)C3)s1
InChIInChI=1S/C22H34N2OS/c1-17-8-9-19(26-17)22(23(2)3)12-10-21(11-13-22)14-20(25)24(16-21)15-18-6-4-5-7-18/h8-9,18H,4-7,10-16H2,1-3H3
InChIKeyRMLRZJSZBBQGFM-UHFFFAOYSA-N
MW374.59 g/mol
LogP4.80
Rot. Bonds4

About 2-(cyclopentylmethyl)-8-(dimethylamino)-8-(5-methylthiophen-2-yl)-2-azaspiro[4.5]decan-3-one

2-(cyclopentylmethyl)-8-(dimethylamino)-8-(5-methylthiophen-2-yl)-2-azaspiro[4.5]decan-3-one (PubChem CID 118662352) has the molecular formula C22H34N2OS and a molecular weight of 374.59 g/mol. Its IUPAC name is 2-(cyclopentylmethyl)-8-(dimethylamino)-8-(5-methylthiophen-2-yl)-2-azaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2-(cyclopentylmethyl)-8-(dimethylamino)-8-(5-methylthiophen-2-yl)-2-azaspiro[4.5]decan-3-one
PubChem CID118662352
Molecular FormulaC22H34N2OS
Molecular Weight374.59 g/mol
Exact Mass374.24
IUPAC Name2-(cyclopentylmethyl)-8-(dimethylamino)-8-(5-methylthiophen-2-yl)-2-azaspiro[4.5]decan-3-one
SMILESCc1ccc(C2(N(C)C)CCC3(CC2)CC(=O)N(CC2CCCC2)C3)s1
InChIInChI=1S/C22H34N2OS/c1-17-8-9-19(26-17)22(23(2)3)12-10-21(11-13-22)14-20(25)24(16-21)15-18-6-4-5-7-18/h8-9,18H,4-7,10-16H2,1-3H3
InChIKeyRMLRZJSZBBQGFM-UHFFFAOYSA-N
XLogP4.80
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.59
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethyl)-8-(dimethylamino)-8-(5-methylthiophen-2-yl)-2-azaspiro[4.5]decan-3-one?
The IUPAC name of 2-(cyclopentylmethyl)-8-(dimethylamino)-8-(5-methylthiophen-2-yl)-2-azaspiro[4.5]decan-3-one (CID 118662352) is 2-(cyclopentylmethyl)-8-(dimethylamino)-8-(5-methylthiophen-2-yl)-2-azaspiro[4.5]decan-3-one.
What is the SMILES notation for 2-(cyclopentylmethyl)-8-(dimethylamino)-8-(5-methylthiophen-2-yl)-2-azaspiro[4.5]decan-3-one?
The canonical SMILES for 2-(cyclopentylmethyl)-8-(dimethylamino)-8-(5-methylthiophen-2-yl)-2-azaspiro[4.5]decan-3-one is Cc1ccc(C2(N(C)C)CCC3(CC2)CC(=O)N(CC2CCCC2)C3)s1.
What is the InChIKey of 2-(cyclopentylmethyl)-8-(dimethylamino)-8-(5-methylthiophen-2-yl)-2-azaspiro[4.5]decan-3-one?
The InChIKey is RMLRZJSZBBQGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2OS/c1-17-8-9-19(26-17)22(23(2)3)12-10-21(11-13-22)14-20(25)24(16-21)15-18-6-4-5-7-18/h8-9,18H,4-7,10-16H2,1-3H3.
What are the key properties of 2-(cyclopentylmethyl)-8-(dimethylamino)-8-(5-methylthiophen-2-yl)-2-azaspiro[4.5]decan-3-one?
2-(cyclopentylmethyl)-8-(dimethylamino)-8-(5-methylthiophen-2-yl)-2-azaspiro[4.5]decan-3-one has a molecular weight of 374.59 g/mol, XLogP of 4.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethyl)-8-(dimethylamino)-8-(5-methylthiophen-2-yl)-2-azaspiro[4.5]decan-3-one is sourced from PubChem (CID 118662352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).