tert-butyl [8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl] carbonate

C20H32N2O3S — CID 118665972

IUPACtert-butyl [8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl] carbonate
SMILESCN(C)C1(c2cccs2)CCC2(CCN(OC(=O)OC(C)(C)C)C2)CC1
InChIInChI=1S/C20H32N2O3S/c1-18(2,3)24-17(23)25-22-13-12-19(15-22)8-10-20(11-9-19,21(4)5)16-7-6-14-26-16/h6-7,14H,8-13,15H2,1-5H3
InChIKeyVRSZKXHXCJYZDY-UHFFFAOYSA-N
MW380.55 g/mol
LogP4.64
Rot. Bonds3

About tert-butyl [8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl] carbonate

tert-butyl [8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl] carbonate (PubChem CID 118665972) has the molecular formula C20H32N2O3S and a molecular weight of 380.55 g/mol. Its IUPAC name is tert-butyl [8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl] carbonate.

Molecular Properties

Compound Nametert-butyl [8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl] carbonate
PubChem CID118665972
Molecular FormulaC20H32N2O3S
Molecular Weight380.55 g/mol
Exact Mass380.21
IUPAC Nametert-butyl [8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl] carbonate
SMILESCN(C)C1(c2cccs2)CCC2(CCN(OC(=O)OC(C)(C)C)C2)CC1
InChIInChI=1S/C20H32N2O3S/c1-18(2,3)24-17(23)25-22-13-12-19(15-22)8-10-20(11-9-19,21(4)5)16-7-6-14-26-16/h6-7,14H,8-13,15H2,1-5H3
InChIKeyVRSZKXHXCJYZDY-UHFFFAOYSA-N
XLogP4.64
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.55
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl [8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl] carbonate with MolForge

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

Launch Full Analysis

Related Compounds

[3-(Cyclopentylmethyl)-8-thiophen-2-yl-3-azaspiro[4.5]decan-8-yl]-dimethylamine
CID 118662074
(3-Butyl-8-thiophen-2-yl-3-azaspiro[4.5]decan-8-yl)-dimethylamine
CID 118662291
8-Dimethylamino-8-(5-fluorothiophen-2-yl)-2-azaspiro[4.5]decane-2-carboxylic acid tert-butyl ester
CID 118662335
Tert-butyl [8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-2-azaspiro[4.5]decan-2-yl] carbonate
CID 118665970
Tert-butyl [8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-3-oxo-2-azaspiro[4.5]decan-2-yl] carbonate
CID 118665977
Tert-butyl 9-(dimethylamino)-9-thiophen-2-yl-3-azaspiro[5.5]undecane-3-carboxylate
CID 59311813
1-[8-(Dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-2-methylpropan-2-ol
CID 118661996
3-(8-Dimethylamino-8-thiophen-2-yl-2-azaspiro[4.5]dec-2-yl)propionic acid methyl ester
CID 118661997
1-[8-(Dimethylamino)-8-thiophen-2-yl-3-azaspiro[4.5]decan-3-yl]-3-ethylpentan-3-ol
CID 118662048
2-(cyclobutylmethyl)-N,N-dimethyl-8-thiophen-2-yl-2-azaspiro[4.5]decan-8-amine
CID 118662052
8-Dimethylamino-8-thiophen-2-yl-3-azaspiro[4.5]decane-3-carboxylic acid tert-butyl ester
CID 118662090
[3-(2-Methoxyethyl)-8-(5-methylthiophen-2-yl)-3-azaspiro[4.5]decan-8-yl]-dimethylamine
CID 118662138

Frequently Asked Questions

What is the IUPAC name of tert-butyl [8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl] carbonate?
The IUPAC name of tert-butyl [8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl] carbonate (CID 118665972) is tert-butyl [8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl] carbonate.
What is the SMILES notation for tert-butyl [8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl] carbonate?
The canonical SMILES for tert-butyl [8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl] carbonate is CN(C)C1(c2cccs2)CCC2(CCN(OC(=O)OC(C)(C)C)C2)CC1.
What is the InChIKey of tert-butyl [8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl] carbonate?
The InChIKey is VRSZKXHXCJYZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O3S/c1-18(2,3)24-17(23)25-22-13-12-19(15-22)8-10-20(11-9-19,21(4)5)16-7-6-14-26-16/h6-7,14H,8-13,15H2,1-5H3.
What are the key properties of tert-butyl [8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl] carbonate?
tert-butyl [8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl] carbonate has a molecular weight of 380.55 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl [8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl] carbonate is sourced from PubChem (CID 118665972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).