8-(5-chlorothiophene-2-carbonyl)-2-ethyl-2,8-diazaspiro[4.5]decan-3-one

C15H19ClN2O2S — CID 70754635

IUPAC8-(5-chlorothiophene-2-carbonyl)-2-ethyl-2,8-diazaspiro[4.5]decan-3-one
SMILESCCN1CC2(CCN(C(=O)c3ccc(Cl)s3)CC2)CC1=O
InChIInChI=1S/C15H19ClN2O2S/c1-2-17-10-15(9-13(17)19)5-7-18(8-6-15)14(20)11-3-4-12(16)21-11/h3-4H,2,5-10H2,1H3
InChIKeyQOVCPKABLAFETR-UHFFFAOYSA-N
MW326.85 g/mol
LogP2.88
Rot. Bonds2

About 8-(5-chlorothiophene-2-carbonyl)-2-ethyl-2,8-diazaspiro[4.5]decan-3-one

8-(5-chlorothiophene-2-carbonyl)-2-ethyl-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 70754635) has the molecular formula C15H19ClN2O2S and a molecular weight of 326.85 g/mol. Its IUPAC name is 8-(5-chlorothiophene-2-carbonyl)-2-ethyl-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-(5-chlorothiophene-2-carbonyl)-2-ethyl-2,8-diazaspiro[4.5]decan-3-one
PubChem CID70754635
Molecular FormulaC15H19ClN2O2S
Molecular Weight326.85 g/mol
Exact Mass326.09
IUPAC Name8-(5-chlorothiophene-2-carbonyl)-2-ethyl-2,8-diazaspiro[4.5]decan-3-one
SMILESCCN1CC2(CCN(C(=O)c3ccc(Cl)s3)CC2)CC1=O
InChIInChI=1S/C15H19ClN2O2S/c1-2-17-10-15(9-13(17)19)5-7-18(8-6-15)14(20)11-3-4-12(16)21-11/h3-4H,2,5-10H2,1H3
InChIKeyQOVCPKABLAFETR-UHFFFAOYSA-N
XLogP2.88
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.85
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-Chlorothiophen-2-yl)-pyrrolidin-1-ylmethanone
CID 1247382
5-Chloro-N-methyl-N-[(4-methyloxan-4-YL)methyl]thiophene-2-carboxamide
CID 110875721
4-[1-(5-Chlorothiophene-2-carbonyl)pyrrolidin-3-YL]-1-methanesulfonylpiperidine
CID 91910299
5-chloro-N-methyl-N-(oxolan-3-ylmethyl)thiophene-2-carboxamide
CID 110875873
2-[(5-Chloro-2-thienyl)carbonyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45178278
(5-Chlorothiophen-2-yl)-[4-(2-methoxyethyl)piperidin-1-yl]methanone
CID 53150860
(5-Chloro-2-thienyl){2-[2-(dimethylamino)ethyl]piperidino}methanone
CID 53193370
(5-chloro-2-thienyl){4-[3-ethyl-1-(methylsulfonyl)tetrahydro-1H-pyrrol-3-yl]piperazino}methanone
CID 53194217
2-(5-Chlorothiophene-2-carbonyl)-N,N-dimethyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 91912611
5-Chloro-N-methyl-N-[(oxan-4-YL)methyl]thiophene-2-carboxamide
CID 91915002
4-[1-(5-Chlorothiophene-2-carbonyl)pyrrolidin-3-YL]-N-methylpiperidine-1-carboxamide
CID 91921358
3-[4-(5-Chlorothiophene-2-carbonyl)piperazin-1-YL]-1-(3-methylbutyl)pyrrolidin-2-one
CID 91925899

Frequently Asked Questions

What is the IUPAC name of 8-(5-chlorothiophene-2-carbonyl)-2-ethyl-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-(5-chlorothiophene-2-carbonyl)-2-ethyl-2,8-diazaspiro[4.5]decan-3-one (CID 70754635) is 8-(5-chlorothiophene-2-carbonyl)-2-ethyl-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-(5-chlorothiophene-2-carbonyl)-2-ethyl-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-(5-chlorothiophene-2-carbonyl)-2-ethyl-2,8-diazaspiro[4.5]decan-3-one is CCN1CC2(CCN(C(=O)c3ccc(Cl)s3)CC2)CC1=O.
What is the InChIKey of 8-(5-chlorothiophene-2-carbonyl)-2-ethyl-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is QOVCPKABLAFETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2S/c1-2-17-10-15(9-13(17)19)5-7-18(8-6-15)14(20)11-3-4-12(16)21-11/h3-4H,2,5-10H2,1H3.
What are the key properties of 8-(5-chlorothiophene-2-carbonyl)-2-ethyl-2,8-diazaspiro[4.5]decan-3-one?
8-(5-chlorothiophene-2-carbonyl)-2-ethyl-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 326.85 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-chlorothiophene-2-carbonyl)-2-ethyl-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 70754635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).