8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-2-azaspiro[4.5]decan-4-one

C15H21ClN2OS — CID 118661939

IUPAC8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-2-azaspiro[4.5]decan-4-one
SMILESCN(C)C1(c2ccc(Cl)s2)CCC2(CC1)CNCC2=O
InChIInChI=1S/C15H21ClN2OS/c1-18(2)15(12-3-4-13(16)20-12)7-5-14(6-8-15)10-17-9-11(14)19/h3-4,17H,5-10H2,1-2H3
InChIKeyOVLNDTGIUBVJIN-UHFFFAOYSA-N
MW312.87 g/mol
LogP2.89
Rot. Bonds2

About 8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-2-azaspiro[4.5]decan-4-one

8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-2-azaspiro[4.5]decan-4-one (PubChem CID 118661939) 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-4-one.

Molecular Properties

Compound Name8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-2-azaspiro[4.5]decan-4-one
PubChem CID118661939
Molecular FormulaC15H21ClN2OS
Molecular Weight312.87 g/mol
Exact Mass312.11
IUPAC Name8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-2-azaspiro[4.5]decan-4-one
SMILESCN(C)C1(c2ccc(Cl)s2)CCC2(CC1)CNCC2=O
InChIInChI=1S/C15H21ClN2OS/c1-18(2)15(12-3-4-13(16)20-12)7-5-14(6-8-15)10-17-9-11(14)19/h3-4,17H,5-10H2,1-2H3
InChIKeyOVLNDTGIUBVJIN-UHFFFAOYSA-N
XLogP2.89
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.87
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-4-one?
The IUPAC name of 8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-2-azaspiro[4.5]decan-4-one (CID 118661939) is 8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-2-azaspiro[4.5]decan-4-one.
What is the SMILES notation for 8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-2-azaspiro[4.5]decan-4-one?
The canonical SMILES for 8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-2-azaspiro[4.5]decan-4-one is CN(C)C1(c2ccc(Cl)s2)CCC2(CC1)CNCC2=O.
What is the InChIKey of 8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-2-azaspiro[4.5]decan-4-one?
The InChIKey is OVLNDTGIUBVJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2OS/c1-18(2)15(12-3-4-13(16)20-12)7-5-14(6-8-15)10-17-9-11(14)19/h3-4,17H,5-10H2,1-2H3.
What are the key properties of 8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-2-azaspiro[4.5]decan-4-one?
8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-2-azaspiro[4.5]decan-4-one has a molecular weight of 312.87 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-2-azaspiro[4.5]decan-4-one is sourced from PubChem (CID 118661939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).