1-[8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]-3-methoxy-2,2-dimethylpropan-1-one

C21H33ClN2O2S — CID 118662472

IUPAC1-[8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]-3-methoxy-2,2-dimethylpropan-1-one
SMILESCOCC(C)(C)C(=O)N1CCC2(CCC(c3ccc(Cl)s3)(N(C)C)CC2)C1
InChIInChI=1S/C21H33ClN2O2S/c1-19(2,15-26-5)18(25)24-13-12-20(14-24)8-10-21(11-9-20,23(3)4)16-6-7-17(22)27-16/h6-7H,8-15H2,1-5H3
InChIKeyUTWVQPGWBCQMOM-UHFFFAOYSA-N
MW413.03 g/mol
LogP4.62
Rot. Bonds5

About 1-[8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]-3-methoxy-2,2-dimethylpropan-1-one

1-[8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]-3-methoxy-2,2-dimethylpropan-1-one (PubChem CID 118662472) has the molecular formula C21H33ClN2O2S and a molecular weight of 413.03 g/mol. Its IUPAC name is 1-[8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]-3-methoxy-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]-3-methoxy-2,2-dimethylpropan-1-one
PubChem CID118662472
Molecular FormulaC21H33ClN2O2S
Molecular Weight413.03 g/mol
Exact Mass412.20
IUPAC Name1-[8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]-3-methoxy-2,2-dimethylpropan-1-one
SMILESCOCC(C)(C)C(=O)N1CCC2(CCC(c3ccc(Cl)s3)(N(C)C)CC2)C1
InChIInChI=1S/C21H33ClN2O2S/c1-19(2,15-26-5)18(25)24-13-12-20(14-24)8-10-21(11-9-20,23(3)4)16-6-7-17(22)27-16/h6-7H,8-15H2,1-5H3
InChIKeyUTWVQPGWBCQMOM-UHFFFAOYSA-N
XLogP4.62
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.03
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]-3-methoxy-2,2-dimethylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]-3-methoxy-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]-3-methoxy-2,2-dimethylpropan-1-one (CID 118662472) is 1-[8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]-3-methoxy-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]-3-methoxy-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]-3-methoxy-2,2-dimethylpropan-1-one is COCC(C)(C)C(=O)N1CCC2(CCC(c3ccc(Cl)s3)(N(C)C)CC2)C1.
What is the InChIKey of 1-[8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]-3-methoxy-2,2-dimethylpropan-1-one?
The InChIKey is UTWVQPGWBCQMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33ClN2O2S/c1-19(2,15-26-5)18(25)24-13-12-20(14-24)8-10-21(11-9-20,23(3)4)16-6-7-17(22)27-16/h6-7H,8-15H2,1-5H3.
What are the key properties of 1-[8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]-3-methoxy-2,2-dimethylpropan-1-one?
1-[8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]-3-methoxy-2,2-dimethylpropan-1-one has a molecular weight of 413.03 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]-3-methoxy-2,2-dimethylpropan-1-one is sourced from PubChem (CID 118662472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).