(2S)-4-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-methylmorpholine

C9H15N3OS — CID 96566785

IUPAC(2S)-4-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-methylmorpholine
SMILESCCc1nsc(N2CCO[C@@H](C)C2)n1
InChIInChI=1S/C9H15N3OS/c1-3-8-10-9(14-11-8)12-4-5-13-7(2)6-12/h7H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyIZMJXYGSAXGXSX-ZETCQYMHSA-N
MW213.31 g/mol
LogP1.33
Rot. Bonds2

About (2S)-4-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-methylmorpholine

(2S)-4-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-methylmorpholine (PubChem CID 96566785) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is (2S)-4-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-methylmorpholine.

Molecular Properties

Compound Name(2S)-4-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-methylmorpholine
PubChem CID96566785
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name(2S)-4-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-methylmorpholine
SMILESCCc1nsc(N2CCO[C@@H](C)C2)n1
InChIInChI=1S/C9H15N3OS/c1-3-8-10-9(14-11-8)12-4-5-13-7(2)6-12/h7H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyIZMJXYGSAXGXSX-ZETCQYMHSA-N
XLogP1.33
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-methylmorpholine?
The IUPAC name of (2S)-4-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-methylmorpholine (CID 96566785) is (2S)-4-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-methylmorpholine.
What is the SMILES notation for (2S)-4-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-methylmorpholine?
The canonical SMILES for (2S)-4-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-methylmorpholine is CCc1nsc(N2CCO[C@@H](C)C2)n1.
What is the InChIKey of (2S)-4-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-methylmorpholine?
The InChIKey is IZMJXYGSAXGXSX-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-3-8-10-9(14-11-8)12-4-5-13-7(2)6-12/h7H,3-6H2,1-2H3/t7-/m0/s1.
What are the key properties of (2S)-4-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-methylmorpholine?
(2S)-4-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-methylmorpholine has a molecular weight of 213.31 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-methylmorpholine is sourced from PubChem (CID 96566785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).