3-[[methyl-[(4-methylthiadiazol-5-yl)methyl]amino]methyl]-2-oxa-8-azaspiro[4.5]decan-1-one;dihydrochloride

C14H24Cl2N4O2S — CID 172910012

IUPAC3-[[methyl-[(4-methylthiadiazol-5-yl)methyl]amino]methyl]-2-oxa-8-azaspiro[4.5]decan-1-one;dihydrochloride
SMILESCc1nnsc1CN(C)CC1CC2(CCNCC2)C(=O)O1.Cl.Cl
InChIInChI=1S/C14H22N4O2S.2ClH/c1-10-12(21-17-16-10)9-18(2)8-11-7-14(13(19)20-11)3-5-15-6-4-14;;/h11,15H,3-9H2,1-2H3;2*1H
InChIKeyPVWDGDJGJULNRG-UHFFFAOYSA-N
MW383.35 g/mol
LogP1.81
Rot. Bonds4

About 3-[[methyl-[(4-methylthiadiazol-5-yl)methyl]amino]methyl]-2-oxa-8-azaspiro[4.5]decan-1-one;dihydrochloride

3-[[methyl-[(4-methylthiadiazol-5-yl)methyl]amino]methyl]-2-oxa-8-azaspiro[4.5]decan-1-one;dihydrochloride (PubChem CID 172910012) has the molecular formula C14H24Cl2N4O2S and a molecular weight of 383.35 g/mol. Its IUPAC name is 3-[[methyl-[(4-methylthiadiazol-5-yl)methyl]amino]methyl]-2-oxa-8-azaspiro[4.5]decan-1-one;dihydrochloride.

Molecular Properties

Compound Name3-[[methyl-[(4-methylthiadiazol-5-yl)methyl]amino]methyl]-2-oxa-8-azaspiro[4.5]decan-1-one;dihydrochloride
PubChem CID172910012
Molecular FormulaC14H24Cl2N4O2S
Molecular Weight383.35 g/mol
Exact Mass382.10
IUPAC Name3-[[methyl-[(4-methylthiadiazol-5-yl)methyl]amino]methyl]-2-oxa-8-azaspiro[4.5]decan-1-one;dihydrochloride
SMILESCc1nnsc1CN(C)CC1CC2(CCNCC2)C(=O)O1.Cl.Cl
InChIInChI=1S/C14H22N4O2S.2ClH/c1-10-12(21-17-16-10)9-18(2)8-11-7-14(13(19)20-11)3-5-15-6-4-14;;/h11,15H,3-9H2,1-2H3;2*1H
InChIKeyPVWDGDJGJULNRG-UHFFFAOYSA-N
XLogP1.81
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.35
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[[methyl-[(4-methylthiadiazol-5-yl)methyl]amino]methyl]-2-oxa-8-azaspiro[4.5]decan-1-one;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[methyl-[(4-methylthiadiazol-5-yl)methyl]amino]methyl]-2-oxa-8-azaspiro[4.5]decan-1-one;dihydrochloride?
The IUPAC name of 3-[[methyl-[(4-methylthiadiazol-5-yl)methyl]amino]methyl]-2-oxa-8-azaspiro[4.5]decan-1-one;dihydrochloride (CID 172910012) is 3-[[methyl-[(4-methylthiadiazol-5-yl)methyl]amino]methyl]-2-oxa-8-azaspiro[4.5]decan-1-one;dihydrochloride.
What is the SMILES notation for 3-[[methyl-[(4-methylthiadiazol-5-yl)methyl]amino]methyl]-2-oxa-8-azaspiro[4.5]decan-1-one;dihydrochloride?
The canonical SMILES for 3-[[methyl-[(4-methylthiadiazol-5-yl)methyl]amino]methyl]-2-oxa-8-azaspiro[4.5]decan-1-one;dihydrochloride is Cc1nnsc1CN(C)CC1CC2(CCNCC2)C(=O)O1.Cl.Cl.
What is the InChIKey of 3-[[methyl-[(4-methylthiadiazol-5-yl)methyl]amino]methyl]-2-oxa-8-azaspiro[4.5]decan-1-one;dihydrochloride?
The InChIKey is PVWDGDJGJULNRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2S.2ClH/c1-10-12(21-17-16-10)9-18(2)8-11-7-14(13(19)20-11)3-5-15-6-4-14;;/h11,15H,3-9H2,1-2H3;2*1H.
What are the key properties of 3-[[methyl-[(4-methylthiadiazol-5-yl)methyl]amino]methyl]-2-oxa-8-azaspiro[4.5]decan-1-one;dihydrochloride?
3-[[methyl-[(4-methylthiadiazol-5-yl)methyl]amino]methyl]-2-oxa-8-azaspiro[4.5]decan-1-one;dihydrochloride has a molecular weight of 383.35 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl-[(4-methylthiadiazol-5-yl)methyl]amino]methyl]-2-oxa-8-azaspiro[4.5]decan-1-one;dihydrochloride is sourced from PubChem (CID 172910012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).