1-(2,6-dimethylmorpholin-4-yl)-2-(1-methyltetrazol-5-yl)sulfanylpropan-1-one

C11H19N5O2S — CID 4883454

IUPAC1-(2,6-dimethylmorpholin-4-yl)-2-(1-methyltetrazol-5-yl)sulfanylpropan-1-one
SMILESCC1CN(C(=O)C(C)Sc2nnnn2C)CC(C)O1
InChIInChI=1S/C11H19N5O2S/c1-7-5-16(6-8(2)18-7)10(17)9(3)19-11-12-13-14-15(11)4/h7-9H,5-6H2,1-4H3
InChIKeyBGZXCIYWFOXEHZ-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.33
Rot. Bonds3

About 1-(2,6-dimethylmorpholin-4-yl)-2-(1-methyltetrazol-5-yl)sulfanylpropan-1-one

1-(2,6-dimethylmorpholin-4-yl)-2-(1-methyltetrazol-5-yl)sulfanylpropan-1-one (PubChem CID 4883454) has the molecular formula C11H19N5O2S and a molecular weight of 285.37 g/mol. Its IUPAC name is 1-(2,6-dimethylmorpholin-4-yl)-2-(1-methyltetrazol-5-yl)sulfanylpropan-1-one.

Molecular Properties

Compound Name1-(2,6-dimethylmorpholin-4-yl)-2-(1-methyltetrazol-5-yl)sulfanylpropan-1-one
PubChem CID4883454
Molecular FormulaC11H19N5O2S
Molecular Weight285.37 g/mol
Exact Mass285.13
IUPAC Name1-(2,6-dimethylmorpholin-4-yl)-2-(1-methyltetrazol-5-yl)sulfanylpropan-1-one
SMILESCC1CN(C(=O)C(C)Sc2nnnn2C)CC(C)O1
InChIInChI=1S/C11H19N5O2S/c1-7-5-16(6-8(2)18-7)10(17)9(3)19-11-12-13-14-15(11)4/h7-9H,5-6H2,1-4H3
InChIKeyBGZXCIYWFOXEHZ-UHFFFAOYSA-N
XLogP0.33
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-2-(1-methyltetrazol-5-yl)sulfanylpropan-1-one?
The IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-2-(1-methyltetrazol-5-yl)sulfanylpropan-1-one (CID 4883454) is 1-(2,6-dimethylmorpholin-4-yl)-2-(1-methyltetrazol-5-yl)sulfanylpropan-1-one.
What is the SMILES notation for 1-(2,6-dimethylmorpholin-4-yl)-2-(1-methyltetrazol-5-yl)sulfanylpropan-1-one?
The canonical SMILES for 1-(2,6-dimethylmorpholin-4-yl)-2-(1-methyltetrazol-5-yl)sulfanylpropan-1-one is CC1CN(C(=O)C(C)Sc2nnnn2C)CC(C)O1.
What is the InChIKey of 1-(2,6-dimethylmorpholin-4-yl)-2-(1-methyltetrazol-5-yl)sulfanylpropan-1-one?
The InChIKey is BGZXCIYWFOXEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2S/c1-7-5-16(6-8(2)18-7)10(17)9(3)19-11-12-13-14-15(11)4/h7-9H,5-6H2,1-4H3.
What are the key properties of 1-(2,6-dimethylmorpholin-4-yl)-2-(1-methyltetrazol-5-yl)sulfanylpropan-1-one?
1-(2,6-dimethylmorpholin-4-yl)-2-(1-methyltetrazol-5-yl)sulfanylpropan-1-one has a molecular weight of 285.37 g/mol, XLogP of 0.33, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylmorpholin-4-yl)-2-(1-methyltetrazol-5-yl)sulfanylpropan-1-one is sourced from PubChem (CID 4883454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).