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

C19H30N2OS — CID 118661982

IUPAC2-butyl-8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-3-one
SMILESCCCCN1CC2(CCC(c3cccs3)(N(C)C)CC2)CC1=O
InChIInChI=1S/C19H30N2OS/c1-4-5-12-21-15-18(14-17(21)22)8-10-19(11-9-18,20(2)3)16-7-6-13-23-16/h6-7,13H,4-5,8-12,14-15H2,1-3H3
InChIKeyLXQGTFDMLZMOGB-UHFFFAOYSA-N
MW334.53 g/mol
LogP4.10
Rot. Bonds5

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

2-butyl-8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-3-one (PubChem CID 118661982) has the molecular formula C19H30N2OS and a molecular weight of 334.53 g/mol. Its IUPAC name is 2-butyl-8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2-butyl-8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-3-one
PubChem CID118661982
Molecular FormulaC19H30N2OS
Molecular Weight334.53 g/mol
Exact Mass334.21
IUPAC Name2-butyl-8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-3-one
SMILESCCCCN1CC2(CCC(c3cccs3)(N(C)C)CC2)CC1=O
InChIInChI=1S/C19H30N2OS/c1-4-5-12-21-15-18(14-17(21)22)8-10-19(11-9-18,20(2)3)16-7-6-13-23-16/h6-7,13H,4-5,8-12,14-15H2,1-3H3
InChIKeyLXQGTFDMLZMOGB-UHFFFAOYSA-N
XLogP4.10
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.53
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-3-one?
The IUPAC name of 2-butyl-8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-3-one (CID 118661982) is 2-butyl-8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-3-one.
What is the SMILES notation for 2-butyl-8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-3-one?
The canonical SMILES for 2-butyl-8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-3-one is CCCCN1CC2(CCC(c3cccs3)(N(C)C)CC2)CC1=O.
What is the InChIKey of 2-butyl-8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-3-one?
The InChIKey is LXQGTFDMLZMOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2OS/c1-4-5-12-21-15-18(14-17(21)22)8-10-19(11-9-18,20(2)3)16-7-6-13-23-16/h6-7,13H,4-5,8-12,14-15H2,1-3H3.
What are the key properties of 2-butyl-8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-3-one?
2-butyl-8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-3-one has a molecular weight of 334.53 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-3-one is sourced from PubChem (CID 118661982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).