2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]morpholine

C8H13N3OS2 — CID 64535488

IUPAC2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]morpholine
SMILESCc1nnc(SCC2CNCCO2)s1
InChIInChI=1S/C8H13N3OS2/c1-6-10-11-8(14-6)13-5-7-4-9-2-3-12-7/h7,9H,2-5H2,1H3
InChIKeySQOOBJMJQSLYSF-UHFFFAOYSA-N
MW231.35 g/mol
LogP0.93
Rot. Bonds3

About 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]morpholine

2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]morpholine (PubChem CID 64535488) has the molecular formula C8H13N3OS2 and a molecular weight of 231.35 g/mol. Its IUPAC name is 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]morpholine.

Molecular Properties

Compound Name2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]morpholine
PubChem CID64535488
Molecular FormulaC8H13N3OS2
Molecular Weight231.35 g/mol
Exact Mass231.05
IUPAC Name2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]morpholine
SMILESCc1nnc(SCC2CNCCO2)s1
InChIInChI=1S/C8H13N3OS2/c1-6-10-11-8(14-6)13-5-7-4-9-2-3-12-7/h7,9H,2-5H2,1H3
InChIKeySQOOBJMJQSLYSF-UHFFFAOYSA-N
XLogP0.93
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.35
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]morpholine?
The IUPAC name of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]morpholine (CID 64535488) is 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]morpholine.
What is the SMILES notation for 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]morpholine?
The canonical SMILES for 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]morpholine is Cc1nnc(SCC2CNCCO2)s1.
What is the InChIKey of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]morpholine?
The InChIKey is SQOOBJMJQSLYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3OS2/c1-6-10-11-8(14-6)13-5-7-4-9-2-3-12-7/h7,9H,2-5H2,1H3.
What are the key properties of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]morpholine?
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]morpholine has a molecular weight of 231.35 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]morpholine is sourced from PubChem (CID 64535488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).