8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-1,3-diazaspiro[4.5]decan-2-one

C14H20ClN3OS — CID 130200947

IUPAC8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccc(Cl)s2)CCC2(CC1)CNC(=O)N2
InChIInChI=1S/C14H20ClN3OS/c1-18(2)14(10-3-4-11(15)20-10)7-5-13(6-8-14)9-16-12(19)17-13/h3-4H,5-9H2,1-2H3,(H2,16,17,19)
InChIKeyJJODJBUGAYAMHN-UHFFFAOYSA-N
MW313.85 g/mol
LogP2.78
Rot. Bonds2

About 8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-1,3-diazaspiro[4.5]decan-2-one

8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 130200947) has the molecular formula C14H20ClN3OS and a molecular weight of 313.85 g/mol. Its IUPAC name is 8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-1,3-diazaspiro[4.5]decan-2-one
PubChem CID130200947
Molecular FormulaC14H20ClN3OS
Molecular Weight313.85 g/mol
Exact Mass313.10
IUPAC Name8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccc(Cl)s2)CCC2(CC1)CNC(=O)N2
InChIInChI=1S/C14H20ClN3OS/c1-18(2)14(10-3-4-11(15)20-10)7-5-13(6-8-14)9-16-12(19)17-13/h3-4H,5-9H2,1-2H3,(H2,16,17,19)
InChIKeyJJODJBUGAYAMHN-UHFFFAOYSA-N
XLogP2.78
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.85
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-1,3-diazaspiro[4.5]decan-2-one (CID 130200947) is 8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-1,3-diazaspiro[4.5]decan-2-one is CN(C)C1(c2ccc(Cl)s2)CCC2(CC1)CNC(=O)N2.
What is the InChIKey of 8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is JJODJBUGAYAMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3OS/c1-18(2)14(10-3-4-11(15)20-10)7-5-13(6-8-14)9-16-12(19)17-13/h3-4H,5-9H2,1-2H3,(H2,16,17,19).
What are the key properties of 8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-1,3-diazaspiro[4.5]decan-2-one?
8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 313.85 g/mol, XLogP of 2.78, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 130200947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).