7-(3-methoxypropyl)-2-[(4-methylthiadiazol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one

C16H26N4O2S — CID 72907712

IUPAC7-(3-methoxypropyl)-2-[(4-methylthiadiazol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCOCCCN1CCCC2(CCN(Cc3snnc3C)C2)C1=O
InChIInChI=1S/C16H26N4O2S/c1-13-14(23-18-17-13)11-19-9-6-16(12-19)5-3-7-20(15(16)21)8-4-10-22-2/h3-12H2,1-2H3
InChIKeyVGKZPBHIXBXCCO-UHFFFAOYSA-N
MW338.48 g/mol
LogP1.70
Rot. Bonds6

About 7-(3-methoxypropyl)-2-[(4-methylthiadiazol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one

7-(3-methoxypropyl)-2-[(4-methylthiadiazol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72907712) has the molecular formula C16H26N4O2S and a molecular weight of 338.48 g/mol. Its IUPAC name is 7-(3-methoxypropyl)-2-[(4-methylthiadiazol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-(3-methoxypropyl)-2-[(4-methylthiadiazol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72907712
Molecular FormulaC16H26N4O2S
Molecular Weight338.48 g/mol
Exact Mass338.18
IUPAC Name7-(3-methoxypropyl)-2-[(4-methylthiadiazol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCOCCCN1CCCC2(CCN(Cc3snnc3C)C2)C1=O
InChIInChI=1S/C16H26N4O2S/c1-13-14(23-18-17-13)11-19-9-6-16(12-19)5-3-7-20(15(16)21)8-4-10-22-2/h3-12H2,1-2H3
InChIKeyVGKZPBHIXBXCCO-UHFFFAOYSA-N
XLogP1.70
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(5S)-7-(cyclobutylmethyl)-2-[(4-propan-2-ylthiadiazol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97136866
2-(3-Methoxypropyl)-8-[(4-methyl-1,2,3-thiadiazol-5-YL)methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70721168
2-(2-Methoxyethyl)-8-[(4-methyl-1,2,3-thiadiazol-5-YL)methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70729214
[1-[1-[(4-Methylthiadiazol-5-yl)methyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 70776365
2-Butyl-8-[(4-methyl-1,2,3-thiadiazol-5-YL)methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70776981
N-methyl-2-(8-methyl-3-oxo-2,8-diazaspiro[4.5]dec-2-yl)-N-[(4-methyl-1,2,3-thiadiazol-5-yl)methyl]acetamide
CID 72837932
7-(2-Hydroxyethyl)-2-[(4-isopropyl-1,2,3-thiadiazol-5-YL)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72839350
2-[(4-Isopropyl-1,2,3-thiadiazol-5-YL)methyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72856634
2-[(4-Ethyl-1,2,3-thiadiazol-5-yl)carbonyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72879760
2-(3-Methoxypropyl)-8-[(4-methyl-1,2,3-thiadiazol-5-yl)carbonyl]-2,8-diazaspiro[4.5]decan-3-one
CID 72896487
7-(Cyclobutylmethyl)-2-[(4-isopropyl-1,2,3-thiadiazol-5-YL)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72897964
(6S)-2-(3-methoxypropyl)-8-[(4-methylthiadiazol-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 95862033

Frequently Asked Questions

What is the IUPAC name of 7-(3-methoxypropyl)-2-[(4-methylthiadiazol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-(3-methoxypropyl)-2-[(4-methylthiadiazol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one (CID 72907712) is 7-(3-methoxypropyl)-2-[(4-methylthiadiazol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-(3-methoxypropyl)-2-[(4-methylthiadiazol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-(3-methoxypropyl)-2-[(4-methylthiadiazol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one is COCCCN1CCCC2(CCN(Cc3snnc3C)C2)C1=O.
What is the InChIKey of 7-(3-methoxypropyl)-2-[(4-methylthiadiazol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is VGKZPBHIXBXCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2S/c1-13-14(23-18-17-13)11-19-9-6-16(12-19)5-3-7-20(15(16)21)8-4-10-22-2/h3-12H2,1-2H3.
What are the key properties of 7-(3-methoxypropyl)-2-[(4-methylthiadiazol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
7-(3-methoxypropyl)-2-[(4-methylthiadiazol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 338.48 g/mol, XLogP of 1.70, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-methoxypropyl)-2-[(4-methylthiadiazol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72907712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).