2-(5-chlorothiophene-2-carbonyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one

C16H21ClN2O3S — CID 45178278

IUPAC2-(5-chlorothiophene-2-carbonyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCOCCN1CCCC2(CCN(C(=O)c3ccc(Cl)s3)C2)C1=O
InChIInChI=1S/C16H21ClN2O3S/c1-22-10-9-18-7-2-5-16(15(18)21)6-8-19(11-16)14(20)12-3-4-13(17)23-12/h3-4H,2,5-11H2,1H3
InChIKeyRREBYIYLRWELFD-UHFFFAOYSA-N
MW356.88 g/mol
LogP2.50
Rot. Bonds4

About 2-(5-chlorothiophene-2-carbonyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one

2-(5-chlorothiophene-2-carbonyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 45178278) has the molecular formula C16H21ClN2O3S and a molecular weight of 356.88 g/mol. Its IUPAC name is 2-(5-chlorothiophene-2-carbonyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name2-(5-chlorothiophene-2-carbonyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID45178278
Molecular FormulaC16H21ClN2O3S
Molecular Weight356.88 g/mol
Exact Mass356.10
IUPAC Name2-(5-chlorothiophene-2-carbonyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCOCCN1CCCC2(CCN(C(=O)c3ccc(Cl)s3)C2)C1=O
InChIInChI=1S/C16H21ClN2O3S/c1-22-10-9-18-7-2-5-16(15(18)21)6-8-19(11-16)14(20)12-3-4-13(17)23-12/h3-4H,2,5-11H2,1H3
InChIKeyRREBYIYLRWELFD-UHFFFAOYSA-N
XLogP2.50
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.88
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophene-2-carbonyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 2-(5-chlorothiophene-2-carbonyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one (CID 45178278) is 2-(5-chlorothiophene-2-carbonyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 2-(5-chlorothiophene-2-carbonyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 2-(5-chlorothiophene-2-carbonyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one is COCCN1CCCC2(CCN(C(=O)c3ccc(Cl)s3)C2)C1=O.
What is the InChIKey of 2-(5-chlorothiophene-2-carbonyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is RREBYIYLRWELFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O3S/c1-22-10-9-18-7-2-5-16(15(18)21)6-8-19(11-16)14(20)12-3-4-13(17)23-12/h3-4H,2,5-11H2,1H3.
What are the key properties of 2-(5-chlorothiophene-2-carbonyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
2-(5-chlorothiophene-2-carbonyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 356.88 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophene-2-carbonyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 45178278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).