8-(dimethylamino)-2-(3-methoxy-3-methylbutyl)-8-thiophen-2-yl-2-azaspiro[4.5]decan-3-one

C21H34N2O2S — CID 118661990

IUPAC8-(dimethylamino)-2-(3-methoxy-3-methylbutyl)-8-thiophen-2-yl-2-azaspiro[4.5]decan-3-one
SMILESCOC(C)(C)CCN1CC2(CCC(c3cccs3)(N(C)C)CC2)CC1=O
InChIInChI=1S/C21H34N2O2S/c1-19(2,25-5)12-13-23-16-20(15-18(23)24)8-10-21(11-9-20,22(3)4)17-7-6-14-26-17/h6-7,14H,8-13,15-16H2,1-5H3
InChIKeyPNJXKYZFRMYBJD-UHFFFAOYSA-N
MW378.58 g/mol
LogP4.11
Rot. Bonds6

About 8-(dimethylamino)-2-(3-methoxy-3-methylbutyl)-8-thiophen-2-yl-2-azaspiro[4.5]decan-3-one

8-(dimethylamino)-2-(3-methoxy-3-methylbutyl)-8-thiophen-2-yl-2-azaspiro[4.5]decan-3-one (PubChem CID 118661990) has the molecular formula C21H34N2O2S and a molecular weight of 378.58 g/mol. Its IUPAC name is 8-(dimethylamino)-2-(3-methoxy-3-methylbutyl)-8-thiophen-2-yl-2-azaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-(dimethylamino)-2-(3-methoxy-3-methylbutyl)-8-thiophen-2-yl-2-azaspiro[4.5]decan-3-one
PubChem CID118661990
Molecular FormulaC21H34N2O2S
Molecular Weight378.58 g/mol
Exact Mass378.23
IUPAC Name8-(dimethylamino)-2-(3-methoxy-3-methylbutyl)-8-thiophen-2-yl-2-azaspiro[4.5]decan-3-one
SMILESCOC(C)(C)CCN1CC2(CCC(c3cccs3)(N(C)C)CC2)CC1=O
InChIInChI=1S/C21H34N2O2S/c1-19(2,25-5)12-13-23-16-20(15-18(23)24)8-10-21(11-9-20,22(3)4)17-7-6-14-26-17/h6-7,14H,8-13,15-16H2,1-5H3
InChIKeyPNJXKYZFRMYBJD-UHFFFAOYSA-N
XLogP4.11
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.58
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)-2-(3-methoxy-3-methylbutyl)-8-thiophen-2-yl-2-azaspiro[4.5]decan-3-one?
The IUPAC name of 8-(dimethylamino)-2-(3-methoxy-3-methylbutyl)-8-thiophen-2-yl-2-azaspiro[4.5]decan-3-one (CID 118661990) is 8-(dimethylamino)-2-(3-methoxy-3-methylbutyl)-8-thiophen-2-yl-2-azaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-(dimethylamino)-2-(3-methoxy-3-methylbutyl)-8-thiophen-2-yl-2-azaspiro[4.5]decan-3-one?
The canonical SMILES for 8-(dimethylamino)-2-(3-methoxy-3-methylbutyl)-8-thiophen-2-yl-2-azaspiro[4.5]decan-3-one is COC(C)(C)CCN1CC2(CCC(c3cccs3)(N(C)C)CC2)CC1=O.
What is the InChIKey of 8-(dimethylamino)-2-(3-methoxy-3-methylbutyl)-8-thiophen-2-yl-2-azaspiro[4.5]decan-3-one?
The InChIKey is PNJXKYZFRMYBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O2S/c1-19(2,25-5)12-13-23-16-20(15-18(23)24)8-10-21(11-9-20,22(3)4)17-7-6-14-26-17/h6-7,14H,8-13,15-16H2,1-5H3.
What are the key properties of 8-(dimethylamino)-2-(3-methoxy-3-methylbutyl)-8-thiophen-2-yl-2-azaspiro[4.5]decan-3-one?
8-(dimethylamino)-2-(3-methoxy-3-methylbutyl)-8-thiophen-2-yl-2-azaspiro[4.5]decan-3-one has a molecular weight of 378.58 g/mol, XLogP of 4.11, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dimethylamino)-2-(3-methoxy-3-methylbutyl)-8-thiophen-2-yl-2-azaspiro[4.5]decan-3-one is sourced from PubChem (CID 118661990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).