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

C15H21ClN2OS — CID 118662034

IUPAC8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-2-azaspiro[4.5]decan-1-one
SMILESCN(C)C1(c2ccc(Cl)s2)CCC2(CCNC2=O)CC1
InChIInChI=1S/C15H21ClN2OS/c1-18(2)15(11-3-4-12(16)20-11)7-5-14(6-8-15)9-10-17-13(14)19/h3-4H,5-10H2,1-2H3,(H,17,19)
InChIKeyBUOXNKOHEYGMTO-UHFFFAOYSA-N
MW312.87 g/mol
LogP3.24
Rot. Bonds2

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

8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-2-azaspiro[4.5]decan-1-one (PubChem CID 118662034) has the molecular formula C15H21ClN2OS and a molecular weight of 312.87 g/mol. Its IUPAC name is 8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-2-azaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-2-azaspiro[4.5]decan-1-one
PubChem CID118662034
Molecular FormulaC15H21ClN2OS
Molecular Weight312.87 g/mol
Exact Mass312.11
IUPAC Name8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-2-azaspiro[4.5]decan-1-one
SMILESCN(C)C1(c2ccc(Cl)s2)CCC2(CCNC2=O)CC1
InChIInChI=1S/C15H21ClN2OS/c1-18(2)15(11-3-4-12(16)20-11)7-5-14(6-8-15)9-10-17-13(14)19/h3-4H,5-10H2,1-2H3,(H,17,19)
InChIKeyBUOXNKOHEYGMTO-UHFFFAOYSA-N
XLogP3.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.87
LogP ≤ 53.24
H-Bond Donors ≤ 51
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
5-chloro-N-[[(4S)-2-propan-2-yl-2-azaspiro[4.5]decan-4-yl]methyl]thiophene-2-carboxamide
CID 164638414
8-Dimethylamino-8-(5-fluorothiophen-2-yl)-2-azaspiro[4.5]decan-3-one
CID 118662004
(2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(5-chloranylthiophen-2-yl)methyl]pyrrolidine-2-carboxamide
CID 155884463
3-[2-(4-chlorobenzyl)-5-oxo-2-pyrrolidinyl]-N-(2-thienylmethyl)propanamide
CID 45172891
3-[2-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methyl-N-(thiophen-3-ylmethyl)propanamide
CID 45222370
N-[(5-chlorothiophen-2-yl)methyl]-3-(2-methyl-5-oxopyrrolidin-2-yl)propanamide
CID 126466783
(3S,4S)-4-(5-chlorothiophen-2-yl)-N-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 70890538
4-(5-chlorothiophen-2-yl)-N-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 77946880
8-(5-Chlorothiophen-2-yl)-8-(dimethylamino)-3-(3-methoxy-3-methylbutyl)-3-azaspiro[4.5]decan-2-one
CID 118661918
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

Frequently Asked Questions

What is the IUPAC name of 8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-2-azaspiro[4.5]decan-1-one?
The IUPAC name of 8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-2-azaspiro[4.5]decan-1-one (CID 118662034) is 8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-2-azaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-2-azaspiro[4.5]decan-1-one?
The canonical SMILES for 8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-2-azaspiro[4.5]decan-1-one is CN(C)C1(c2ccc(Cl)s2)CCC2(CCNC2=O)CC1.
What is the InChIKey of 8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-2-azaspiro[4.5]decan-1-one?
The InChIKey is BUOXNKOHEYGMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2OS/c1-18(2)15(11-3-4-12(16)20-11)7-5-14(6-8-15)9-10-17-13(14)19/h3-4H,5-10H2,1-2H3,(H,17,19).
What are the key properties of 8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-2-azaspiro[4.5]decan-1-one?
8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-2-azaspiro[4.5]decan-1-one has a molecular weight of 312.87 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-2-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 118662034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).