2-(1,3,4-thiadiazol-2-ylsulfanylmethyl)morpholine

C7H11N3OS2 — CID 64533467

IUPAC2-(1,3,4-thiadiazol-2-ylsulfanylmethyl)morpholine
SMILESc1nnc(SCC2CNCCO2)s1
InChIInChI=1S/C7H11N3OS2/c1-2-11-6(3-8-1)4-12-7-10-9-5-13-7/h5-6,8H,1-4H2
InChIKeySDSVSVQNAYUJIJ-UHFFFAOYSA-N
MW217.32 g/mol
LogP0.62
Rot. Bonds3

About 2-(1,3,4-thiadiazol-2-ylsulfanylmethyl)morpholine

2-(1,3,4-thiadiazol-2-ylsulfanylmethyl)morpholine (PubChem CID 64533467) has the molecular formula C7H11N3OS2 and a molecular weight of 217.32 g/mol. Its IUPAC name is 2-(1,3,4-thiadiazol-2-ylsulfanylmethyl)morpholine.

Molecular Properties

Compound Name2-(1,3,4-thiadiazol-2-ylsulfanylmethyl)morpholine
PubChem CID64533467
Molecular FormulaC7H11N3OS2
Molecular Weight217.32 g/mol
Exact Mass217.03
IUPAC Name2-(1,3,4-thiadiazol-2-ylsulfanylmethyl)morpholine
SMILESc1nnc(SCC2CNCCO2)s1
InChIInChI=1S/C7H11N3OS2/c1-2-11-6(3-8-1)4-12-7-10-9-5-13-7/h5-6,8H,1-4H2
InChIKeySDSVSVQNAYUJIJ-UHFFFAOYSA-N
XLogP0.62
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3,4-thiadiazol-2-ylsulfanylmethyl)morpholine?
The IUPAC name of 2-(1,3,4-thiadiazol-2-ylsulfanylmethyl)morpholine (CID 64533467) is 2-(1,3,4-thiadiazol-2-ylsulfanylmethyl)morpholine.
What is the SMILES notation for 2-(1,3,4-thiadiazol-2-ylsulfanylmethyl)morpholine?
The canonical SMILES for 2-(1,3,4-thiadiazol-2-ylsulfanylmethyl)morpholine is c1nnc(SCC2CNCCO2)s1.
What is the InChIKey of 2-(1,3,4-thiadiazol-2-ylsulfanylmethyl)morpholine?
The InChIKey is SDSVSVQNAYUJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3OS2/c1-2-11-6(3-8-1)4-12-7-10-9-5-13-7/h5-6,8H,1-4H2.
What are the key properties of 2-(1,3,4-thiadiazol-2-ylsulfanylmethyl)morpholine?
2-(1,3,4-thiadiazol-2-ylsulfanylmethyl)morpholine has a molecular weight of 217.32 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3,4-thiadiazol-2-ylsulfanylmethyl)morpholine is sourced from PubChem (CID 64533467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).