morpholin-4-yl N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)carbamodithioate

C7H11N5O3S4 — CID 101062746

IUPACmorpholin-4-yl N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)carbamodithioate
SMILESNS(=O)(=O)c1nnc(NC(=S)SN2CCOCC2)s1
InChIInChI=1S/C7H11N5O3S4/c8-19(13,14)7-11-10-5(17-7)9-6(16)18-12-1-3-15-4-2-12/h1-4H2,(H2,8,13,14)(H,9,10,16)
InChIKeyAKEWWICJDQOGSA-UHFFFAOYSA-N
MW341.47 g/mol
LogP-0.14
Rot. Bonds3

About morpholin-4-yl N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)carbamodithioate

morpholin-4-yl N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)carbamodithioate (PubChem CID 101062746) has the molecular formula C7H11N5O3S4 and a molecular weight of 341.47 g/mol. Its IUPAC name is morpholin-4-yl N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)carbamodithioate.

Molecular Properties

Compound Namemorpholin-4-yl N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)carbamodithioate
PubChem CID101062746
Molecular FormulaC7H11N5O3S4
Molecular Weight341.47 g/mol
Exact Mass340.97
IUPAC Namemorpholin-4-yl N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)carbamodithioate
SMILESNS(=O)(=O)c1nnc(NC(=S)SN2CCOCC2)s1
InChIInChI=1S/C7H11N5O3S4/c8-19(13,14)7-11-10-5(17-7)9-6(16)18-12-1-3-15-4-2-12/h1-4H2,(H2,8,13,14)(H,9,10,16)
InChIKeyAKEWWICJDQOGSA-UHFFFAOYSA-N
XLogP-0.14
TPSA110.44 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.47
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)carbamodithioate?
The IUPAC name of morpholin-4-yl N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)carbamodithioate (CID 101062746) is morpholin-4-yl N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)carbamodithioate.
What is the SMILES notation for morpholin-4-yl N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)carbamodithioate?
The canonical SMILES for morpholin-4-yl N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)carbamodithioate is NS(=O)(=O)c1nnc(NC(=S)SN2CCOCC2)s1.
What is the InChIKey of morpholin-4-yl N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)carbamodithioate?
The InChIKey is AKEWWICJDQOGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5O3S4/c8-19(13,14)7-11-10-5(17-7)9-6(16)18-12-1-3-15-4-2-12/h1-4H2,(H2,8,13,14)(H,9,10,16).
What are the key properties of morpholin-4-yl N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)carbamodithioate?
morpholin-4-yl N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)carbamodithioate has a molecular weight of 341.47 g/mol, XLogP of -0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)carbamodithioate is sourced from PubChem (CID 101062746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).