(4-methylthiomorpholin-3-yl)-(3-methyltriazol-4-yl)methanone

C9H14N4OS — CID 103595406

IUPAC(4-methylthiomorpholin-3-yl)-(3-methyltriazol-4-yl)methanone
SMILESCN1CCSCC1C(=O)c1cnnn1C
InChIInChI=1S/C9H14N4OS/c1-12-3-4-15-6-8(12)9(14)7-5-10-11-13(7)2/h5,8H,3-4,6H2,1-2H3
InChIKeyZXEIJRFKNHMKOH-UHFFFAOYSA-N
MW226.30 g/mol
LogP0.05
Rot. Bonds2

About (4-methylthiomorpholin-3-yl)-(3-methyltriazol-4-yl)methanone

(4-methylthiomorpholin-3-yl)-(3-methyltriazol-4-yl)methanone (PubChem CID 103595406) has the molecular formula C9H14N4OS and a molecular weight of 226.30 g/mol. Its IUPAC name is (4-methylthiomorpholin-3-yl)-(3-methyltriazol-4-yl)methanone.

Molecular Properties

Compound Name(4-methylthiomorpholin-3-yl)-(3-methyltriazol-4-yl)methanone
PubChem CID103595406
Molecular FormulaC9H14N4OS
Molecular Weight226.30 g/mol
Exact Mass226.09
IUPAC Name(4-methylthiomorpholin-3-yl)-(3-methyltriazol-4-yl)methanone
SMILESCN1CCSCC1C(=O)c1cnnn1C
InChIInChI=1S/C9H14N4OS/c1-12-3-4-15-6-8(12)9(14)7-5-10-11-13(7)2/h5,8H,3-4,6H2,1-2H3
InChIKeyZXEIJRFKNHMKOH-UHFFFAOYSA-N
XLogP0.05
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 50.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-methylthiomorpholin-3-yl)-(3-methyltriazol-4-yl)methanone?
The IUPAC name of (4-methylthiomorpholin-3-yl)-(3-methyltriazol-4-yl)methanone (CID 103595406) is (4-methylthiomorpholin-3-yl)-(3-methyltriazol-4-yl)methanone.
What is the SMILES notation for (4-methylthiomorpholin-3-yl)-(3-methyltriazol-4-yl)methanone?
The canonical SMILES for (4-methylthiomorpholin-3-yl)-(3-methyltriazol-4-yl)methanone is CN1CCSCC1C(=O)c1cnnn1C.
What is the InChIKey of (4-methylthiomorpholin-3-yl)-(3-methyltriazol-4-yl)methanone?
The InChIKey is ZXEIJRFKNHMKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4OS/c1-12-3-4-15-6-8(12)9(14)7-5-10-11-13(7)2/h5,8H,3-4,6H2,1-2H3.
What are the key properties of (4-methylthiomorpholin-3-yl)-(3-methyltriazol-4-yl)methanone?
(4-methylthiomorpholin-3-yl)-(3-methyltriazol-4-yl)methanone has a molecular weight of 226.30 g/mol, XLogP of 0.05, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylthiomorpholin-3-yl)-(3-methyltriazol-4-yl)methanone is sourced from PubChem (CID 103595406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).