1-[8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]butan-1-one

C19H29ClN2OS — CID 118662031

IUPAC1-[8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]butan-1-one
SMILESCCCC(=O)N1CCC2(CCC(c3ccc(Cl)s3)(N(C)C)CC2)C1
InChIInChI=1S/C19H29ClN2OS/c1-4-5-17(23)22-13-12-18(14-22)8-10-19(11-9-18,21(2)3)15-6-7-16(20)24-15/h6-7H,4-5,8-14H2,1-3H3
InChIKeySULDGXPGLZGMMD-UHFFFAOYSA-N
MW368.97 g/mol
LogP4.75
Rot. Bonds4

About 1-[8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]butan-1-one

1-[8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]butan-1-one (PubChem CID 118662031) has the molecular formula C19H29ClN2OS and a molecular weight of 368.97 g/mol. Its IUPAC name is 1-[8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]butan-1-one.

Molecular Properties

Compound Name1-[8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]butan-1-one
PubChem CID118662031
Molecular FormulaC19H29ClN2OS
Molecular Weight368.97 g/mol
Exact Mass368.17
IUPAC Name1-[8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]butan-1-one
SMILESCCCC(=O)N1CCC2(CCC(c3ccc(Cl)s3)(N(C)C)CC2)C1
InChIInChI=1S/C19H29ClN2OS/c1-4-5-17(23)22-13-12-18(14-22)8-10-19(11-9-18,21(2)3)15-6-7-16(20)24-15/h6-7H,4-5,8-14H2,1-3H3
InChIKeySULDGXPGLZGMMD-UHFFFAOYSA-N
XLogP4.75
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.97
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Butyl-8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-1-one
CID 118662183
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
1-[2-(5-chlorothiophen-2-yl)propan-2-yl]-3-methyl-4-phenyl-2H-pyrrol-5-one
CID 76320285
5-chloro-N-[[(4S)-2-propan-2-yl-2-azaspiro[4.5]decan-4-yl]methyl]thiophene-2-carboxamide
CID 164638414
1-[8-(Dimethylamino)-8-(5-fluorothiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]butan-1-one
CID 118662107
8-(5-Chlorothiophen-2-yl)-8-(dimethylamino)-3-(3-methoxy-3-methylbutyl)-3-azaspiro[4.5]decan-2-one
CID 118661918
1-[8-(Dimethylamino)-8-(5-methylthiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]-2-methylpropan-1-one
CID 118661925
8-(5-Chlorothiophen-2-yl)-8-dimethylamino-2-azaspiro[4.5]decan-3-one
CID 118661933
8-(5-Chlorothiophen-2-yl)-8-dimethylamino-3-oxo-2-azaspiro[4.5]decane-2-carboxylic acid tert-butyl ester
CID 118661935
8-(5-Chlorothiophen-2-yl)-8-(dimethylamino)-2-azaspiro[4.5]decan-4-one
CID 118661939
4-[8-(Dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-2-yl]-2,2-dimethyl-4-oxobutanenitrile
CID 118661969

Frequently Asked Questions

What is the IUPAC name of 1-[8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]butan-1-one?
The IUPAC name of 1-[8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]butan-1-one (CID 118662031) is 1-[8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]butan-1-one.
What is the SMILES notation for 1-[8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]butan-1-one?
The canonical SMILES for 1-[8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]butan-1-one is CCCC(=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]butan-1-one?
The InChIKey is SULDGXPGLZGMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29ClN2OS/c1-4-5-17(23)22-13-12-18(14-22)8-10-19(11-9-18,21(2)3)15-6-7-16(20)24-15/h6-7H,4-5,8-14H2,1-3H3.
What are the key properties of 1-[8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]butan-1-one?
1-[8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]butan-1-one has a molecular weight of 368.97 g/mol, XLogP of 4.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 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]butan-1-one is sourced from PubChem (CID 118662031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).