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

C15H21ClN2OS — CID 118661933

IUPAC8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-2-azaspiro[4.5]decan-3-one
SMILESCN(C)C1(c2ccc(Cl)s2)CCC2(CC1)CNC(=O)C2
InChIInChI=1S/C15H21ClN2OS/c1-18(2)15(11-3-4-12(16)20-11)7-5-14(6-8-15)9-13(19)17-10-14/h3-4H,5-10H2,1-2H3,(H,17,19)
InChIKeyGMNPPYGFLUCWMD-UHFFFAOYSA-N
MW312.87 g/mol
LogP3.24
Rot. Bonds2

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

8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-2-azaspiro[4.5]decan-3-one (PubChem CID 118661933) 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-3-one.

Molecular Properties

Compound Name8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-2-azaspiro[4.5]decan-3-one
PubChem CID118661933
Molecular FormulaC15H21ClN2OS
Molecular Weight312.87 g/mol
Exact Mass312.11
IUPAC Name8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-2-azaspiro[4.5]decan-3-one
SMILESCN(C)C1(c2ccc(Cl)s2)CCC2(CC1)CNC(=O)C2
InChIInChI=1S/C15H21ClN2OS/c1-18(2)15(11-3-4-12(16)20-11)7-5-14(6-8-15)9-13(19)17-10-14/h3-4H,5-10H2,1-2H3,(H,17,19)
InChIKeyGMNPPYGFLUCWMD-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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Frequently Asked Questions

What is the IUPAC name of 8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-2-azaspiro[4.5]decan-3-one?
The IUPAC name of 8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-2-azaspiro[4.5]decan-3-one (CID 118661933) is 8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-2-azaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-2-azaspiro[4.5]decan-3-one?
The canonical SMILES for 8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-2-azaspiro[4.5]decan-3-one is CN(C)C1(c2ccc(Cl)s2)CCC2(CC1)CNC(=O)C2.
What is the InChIKey of 8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-2-azaspiro[4.5]decan-3-one?
The InChIKey is GMNPPYGFLUCWMD-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)9-13(19)17-10-14/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-3-one?
8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-2-azaspiro[4.5]decan-3-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-3-one is sourced from PubChem (CID 118661933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).