2,5,5-trimethyl-4-(thiadiazol-4-ylmethyl)morpholine

C10H17N3OS — CID 75506962

IUPAC2,5,5-trimethyl-4-(thiadiazol-4-ylmethyl)morpholine
SMILESCC1CN(Cc2csnn2)C(C)(C)CO1
InChIInChI=1S/C10H17N3OS/c1-8-4-13(10(2,3)7-14-8)5-9-6-15-12-11-9/h6,8H,4-5,7H2,1-3H3
InChIKeyZIQXRMDGLDEQIC-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.54
Rot. Bonds2

About 2,5,5-trimethyl-4-(thiadiazol-4-ylmethyl)morpholine

2,5,5-trimethyl-4-(thiadiazol-4-ylmethyl)morpholine (PubChem CID 75506962) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 2,5,5-trimethyl-4-(thiadiazol-4-ylmethyl)morpholine.

Molecular Properties

Compound Name2,5,5-trimethyl-4-(thiadiazol-4-ylmethyl)morpholine
PubChem CID75506962
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name2,5,5-trimethyl-4-(thiadiazol-4-ylmethyl)morpholine
SMILESCC1CN(Cc2csnn2)C(C)(C)CO1
InChIInChI=1S/C10H17N3OS/c1-8-4-13(10(2,3)7-14-8)5-9-6-15-12-11-9/h6,8H,4-5,7H2,1-3H3
InChIKeyZIQXRMDGLDEQIC-UHFFFAOYSA-N
XLogP1.54
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,5,5-trimethyl-4-(thiadiazol-4-ylmethyl)morpholine?
The IUPAC name of 2,5,5-trimethyl-4-(thiadiazol-4-ylmethyl)morpholine (CID 75506962) is 2,5,5-trimethyl-4-(thiadiazol-4-ylmethyl)morpholine.
What is the SMILES notation for 2,5,5-trimethyl-4-(thiadiazol-4-ylmethyl)morpholine?
The canonical SMILES for 2,5,5-trimethyl-4-(thiadiazol-4-ylmethyl)morpholine is CC1CN(Cc2csnn2)C(C)(C)CO1.
What is the InChIKey of 2,5,5-trimethyl-4-(thiadiazol-4-ylmethyl)morpholine?
The InChIKey is ZIQXRMDGLDEQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-8-4-13(10(2,3)7-14-8)5-9-6-15-12-11-9/h6,8H,4-5,7H2,1-3H3.
What are the key properties of 2,5,5-trimethyl-4-(thiadiazol-4-ylmethyl)morpholine?
2,5,5-trimethyl-4-(thiadiazol-4-ylmethyl)morpholine has a molecular weight of 227.33 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,5-trimethyl-4-(thiadiazol-4-ylmethyl)morpholine is sourced from PubChem (CID 75506962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).