1-methyl-9-(1,3,4-thiadiazol-2-yl)-4-oxa-1,9-diazaspiro[5.5]undecane

C11H18N4OS — CID 97491911

IUPAC1-methyl-9-(1,3,4-thiadiazol-2-yl)-4-oxa-1,9-diazaspiro[5.5]undecane
SMILESCN1CCOCC12CCN(c1nncs1)CC2
InChIInChI=1S/C11H18N4OS/c1-14-6-7-16-8-11(14)2-4-15(5-3-11)10-13-12-9-17-10/h9H,2-8H2,1H3
InChIKeyJJHPSYMHHCOFGM-UHFFFAOYSA-N
MW254.36 g/mol
LogP0.84
Rot. Bonds1

About 1-methyl-9-(1,3,4-thiadiazol-2-yl)-4-oxa-1,9-diazaspiro[5.5]undecane

1-methyl-9-(1,3,4-thiadiazol-2-yl)-4-oxa-1,9-diazaspiro[5.5]undecane (PubChem CID 97491911) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is 1-methyl-9-(1,3,4-thiadiazol-2-yl)-4-oxa-1,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name1-methyl-9-(1,3,4-thiadiazol-2-yl)-4-oxa-1,9-diazaspiro[5.5]undecane
PubChem CID97491911
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC Name1-methyl-9-(1,3,4-thiadiazol-2-yl)-4-oxa-1,9-diazaspiro[5.5]undecane
SMILESCN1CCOCC12CCN(c1nncs1)CC2
InChIInChI=1S/C11H18N4OS/c1-14-6-7-16-8-11(14)2-4-15(5-3-11)10-13-12-9-17-10/h9H,2-8H2,1H3
InChIKeyJJHPSYMHHCOFGM-UHFFFAOYSA-N
XLogP0.84
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-9-(1,3,4-thiadiazol-2-yl)-4-oxa-1,9-diazaspiro[5.5]undecane?
The IUPAC name of 1-methyl-9-(1,3,4-thiadiazol-2-yl)-4-oxa-1,9-diazaspiro[5.5]undecane (CID 97491911) is 1-methyl-9-(1,3,4-thiadiazol-2-yl)-4-oxa-1,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 1-methyl-9-(1,3,4-thiadiazol-2-yl)-4-oxa-1,9-diazaspiro[5.5]undecane?
The canonical SMILES for 1-methyl-9-(1,3,4-thiadiazol-2-yl)-4-oxa-1,9-diazaspiro[5.5]undecane is CN1CCOCC12CCN(c1nncs1)CC2.
What is the InChIKey of 1-methyl-9-(1,3,4-thiadiazol-2-yl)-4-oxa-1,9-diazaspiro[5.5]undecane?
The InChIKey is JJHPSYMHHCOFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-14-6-7-16-8-11(14)2-4-15(5-3-11)10-13-12-9-17-10/h9H,2-8H2,1H3.
What are the key properties of 1-methyl-9-(1,3,4-thiadiazol-2-yl)-4-oxa-1,9-diazaspiro[5.5]undecane?
1-methyl-9-(1,3,4-thiadiazol-2-yl)-4-oxa-1,9-diazaspiro[5.5]undecane has a molecular weight of 254.36 g/mol, XLogP of 0.84, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-9-(1,3,4-thiadiazol-2-yl)-4-oxa-1,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 97491911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).