1-[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-2-methylpropan-2-ol

C19H32N2OS — CID 118661996

IUPAC1-[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-2-methylpropan-2-ol
SMILESCN(C)C1(c2cccs2)CCC2(CCN(CC(C)(C)O)C2)CC1
InChIInChI=1S/C19H32N2OS/c1-17(2,22)14-21-12-11-18(15-21)7-9-19(10-8-18,20(3)4)16-6-5-13-23-16/h5-6,13,22H,7-12,14-15H2,1-4H3
InChIKeyPSMZKDIRLXZHRB-UHFFFAOYSA-N
MW336.55 g/mol
LogP3.54
Rot. Bonds4

About 1-[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-2-methylpropan-2-ol

1-[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-2-methylpropan-2-ol (PubChem CID 118661996) has the molecular formula C19H32N2OS and a molecular weight of 336.55 g/mol. Its IUPAC name is 1-[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-2-methylpropan-2-ol
PubChem CID118661996
Molecular FormulaC19H32N2OS
Molecular Weight336.55 g/mol
Exact Mass336.22
IUPAC Name1-[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-2-methylpropan-2-ol
SMILESCN(C)C1(c2cccs2)CCC2(CCN(CC(C)(C)O)C2)CC1
InChIInChI=1S/C19H32N2OS/c1-17(2,22)14-21-12-11-18(15-21)7-9-19(10-8-18,20(3)4)16-6-5-13-23-16/h5-6,13,22H,7-12,14-15H2,1-4H3
InChIKeyPSMZKDIRLXZHRB-UHFFFAOYSA-N
XLogP3.54
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.55
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
1-[8-(Dimethylamino)-8-(3-methylthiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]-3-methylbutan-1-one
CID 155536757
1-[8-(Dimethylamino)-8-(3-methylthiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]butan-1-one
CID 155537352
2-butyl-8-(5-fluorothiophen-2-yl)-N,N-dimethyl-2-azaspiro[4.5]decan-8-amine
CID 118662057
1-[8-(Dimethylamino)-8-(5-methylthiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]-2-methylpropan-1-one
CID 118661925
1-[[8-(Dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]methyl]cyclopropane-1-carbonitrile
CID 118661928
1-(8-Dimethylamino-8-thiophen-2-yl-3-azaspiro[4.5]decan-3-yl)-butan-1-one
CID 118661979
1-[[8-(Dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]methyl]cyclobutane-1-carbonitrile
CID 118661985
3-(8-Dimethylamino-8-thiophen-2-yl-2-azaspiro[4.5]dec-2-yl)propionic acid methyl ester
CID 118661997
2-(2-cyclobutylethyl)-N-methyl-8-thiophen-2-yl-2-azaspiro[4.5]decan-8-amine
CID 118662000
1-[2-[8-(Dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]ethyl]cyclopropane-1-carbonitrile
CID 118662038

Frequently Asked Questions

What is the IUPAC name of 1-[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-2-methylpropan-2-ol (CID 118661996) is 1-[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-2-methylpropan-2-ol is CN(C)C1(c2cccs2)CCC2(CCN(CC(C)(C)O)C2)CC1.
What is the InChIKey of 1-[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-2-methylpropan-2-ol?
The InChIKey is PSMZKDIRLXZHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2OS/c1-17(2,22)14-21-12-11-18(15-21)7-9-19(10-8-18,20(3)4)16-6-5-13-23-16/h5-6,13,22H,7-12,14-15H2,1-4H3.
What are the key properties of 1-[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-2-methylpropan-2-ol?
1-[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-2-methylpropan-2-ol has a molecular weight of 336.55 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 118661996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).