(2S,6R)-2,6-dimethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine

C9H15N3OS — CID 97009069

IUPAC(2S,6R)-2,6-dimethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine
SMILESCc1nsc(N2C[C@@H](C)O[C@@H](C)C2)n1
InChIInChI=1S/C9H15N3OS/c1-6-4-12(5-7(2)13-6)9-10-8(3)11-14-9/h6-7H,4-5H2,1-3H3/t6-,7+
InChIKeyUXNQAHCNOXNZAL-KNVOCYPGSA-N
MW213.31 g/mol
LogP1.46
Rot. Bonds1

About (2S,6R)-2,6-dimethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine

(2S,6R)-2,6-dimethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine (PubChem CID 97009069) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is (2S,6R)-2,6-dimethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine.

Molecular Properties

Compound Name(2S,6R)-2,6-dimethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine
PubChem CID97009069
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name(2S,6R)-2,6-dimethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine
SMILESCc1nsc(N2C[C@@H](C)O[C@@H](C)C2)n1
InChIInChI=1S/C9H15N3OS/c1-6-4-12(5-7(2)13-6)9-10-8(3)11-14-9/h6-7H,4-5H2,1-3H3/t6-,7+
InChIKeyUXNQAHCNOXNZAL-KNVOCYPGSA-N
XLogP1.46
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2,6-dimethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine?
The IUPAC name of (2S,6R)-2,6-dimethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine (CID 97009069) is (2S,6R)-2,6-dimethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine.
What is the SMILES notation for (2S,6R)-2,6-dimethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine?
The canonical SMILES for (2S,6R)-2,6-dimethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine is Cc1nsc(N2C[C@@H](C)O[C@@H](C)C2)n1.
What is the InChIKey of (2S,6R)-2,6-dimethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine?
The InChIKey is UXNQAHCNOXNZAL-KNVOCYPGSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-6-4-12(5-7(2)13-6)9-10-8(3)11-14-9/h6-7H,4-5H2,1-3H3/t6-,7+.
What are the key properties of (2S,6R)-2,6-dimethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine?
(2S,6R)-2,6-dimethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine has a molecular weight of 213.31 g/mol, XLogP of 1.46, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-2,6-dimethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine is sourced from PubChem (CID 97009069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).