(8-ethyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)-(4-methylthiadiazol-5-yl)methanone;hydrochloride

C13H21ClN4O2S — CID 45370521

IUPAC(8-ethyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)-(4-methylthiadiazol-5-yl)methanone;hydrochloride
SMILESCCN1CCC2(CC1)OCCN2C(=O)c1snnc1C.Cl
InChIInChI=1S/C13H20N4O2S.ClH/c1-3-16-6-4-13(5-7-16)17(8-9-19-13)12(18)11-10(2)14-15-20-11;/h3-9H2,1-2H3;1H
InChIKeyOKJLHLALDBLAHP-UHFFFAOYSA-N
MW332.86 g/mol
LogP1.55
Rot. Bonds2

About (8-ethyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)-(4-methylthiadiazol-5-yl)methanone;hydrochloride

(8-ethyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)-(4-methylthiadiazol-5-yl)methanone;hydrochloride (PubChem CID 45370521) has the molecular formula C13H21ClN4O2S and a molecular weight of 332.86 g/mol. Its IUPAC name is (8-ethyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)-(4-methylthiadiazol-5-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(8-ethyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)-(4-methylthiadiazol-5-yl)methanone;hydrochloride
PubChem CID45370521
Molecular FormulaC13H21ClN4O2S
Molecular Weight332.86 g/mol
Exact Mass332.11
IUPAC Name(8-ethyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)-(4-methylthiadiazol-5-yl)methanone;hydrochloride
SMILESCCN1CCC2(CC1)OCCN2C(=O)c1snnc1C.Cl
InChIInChI=1S/C13H20N4O2S.ClH/c1-3-16-6-4-13(5-7-16)17(8-9-19-13)12(18)11-10(2)14-15-20-11;/h3-9H2,1-2H3;1H
InChIKeyOKJLHLALDBLAHP-UHFFFAOYSA-N
XLogP1.55
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.86
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (8-ethyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)-(4-methylthiadiazol-5-yl)methanone;hydrochloride?
The IUPAC name of (8-ethyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)-(4-methylthiadiazol-5-yl)methanone;hydrochloride (CID 45370521) is (8-ethyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)-(4-methylthiadiazol-5-yl)methanone;hydrochloride.
What is the SMILES notation for (8-ethyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)-(4-methylthiadiazol-5-yl)methanone;hydrochloride?
The canonical SMILES for (8-ethyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)-(4-methylthiadiazol-5-yl)methanone;hydrochloride is CCN1CCC2(CC1)OCCN2C(=O)c1snnc1C.Cl.
What is the InChIKey of (8-ethyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)-(4-methylthiadiazol-5-yl)methanone;hydrochloride?
The InChIKey is OKJLHLALDBLAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2S.ClH/c1-3-16-6-4-13(5-7-16)17(8-9-19-13)12(18)11-10(2)14-15-20-11;/h3-9H2,1-2H3;1H.
What are the key properties of (8-ethyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)-(4-methylthiadiazol-5-yl)methanone;hydrochloride?
(8-ethyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)-(4-methylthiadiazol-5-yl)methanone;hydrochloride has a molecular weight of 332.86 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (8-ethyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)-(4-methylthiadiazol-5-yl)methanone;hydrochloride is sourced from PubChem (CID 45370521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).