4-(dimethylsulfamoyl)morpholine-2-carbothioamide

C7H15N3O3S2 — CID 79674162

IUPAC4-(dimethylsulfamoyl)morpholine-2-carbothioamide
SMILESCN(C)S(=O)(=O)N1CCOC(C(N)=S)C1
InChIInChI=1S/C7H15N3O3S2/c1-9(2)15(11,12)10-3-4-13-6(5-10)7(8)14/h6H,3-5H2,1-2H3,(H2,8,14)
InChIKeyOHLACCTXLSBOKD-UHFFFAOYSA-N
MW253.35 g/mol
LogP-1.22
Rot. Bonds3

About 4-(dimethylsulfamoyl)morpholine-2-carbothioamide

4-(dimethylsulfamoyl)morpholine-2-carbothioamide (PubChem CID 79674162) has the molecular formula C7H15N3O3S2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 4-(dimethylsulfamoyl)morpholine-2-carbothioamide.

Molecular Properties

Compound Name4-(dimethylsulfamoyl)morpholine-2-carbothioamide
PubChem CID79674162
Molecular FormulaC7H15N3O3S2
Molecular Weight253.35 g/mol
Exact Mass253.06
IUPAC Name4-(dimethylsulfamoyl)morpholine-2-carbothioamide
SMILESCN(C)S(=O)(=O)N1CCOC(C(N)=S)C1
InChIInChI=1S/C7H15N3O3S2/c1-9(2)15(11,12)10-3-4-13-6(5-10)7(8)14/h6H,3-5H2,1-2H3,(H2,8,14)
InChIKeyOHLACCTXLSBOKD-UHFFFAOYSA-N
XLogP-1.22
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 5-1.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoyl)morpholine-2-carbothioamide?
The IUPAC name of 4-(dimethylsulfamoyl)morpholine-2-carbothioamide (CID 79674162) is 4-(dimethylsulfamoyl)morpholine-2-carbothioamide.
What is the SMILES notation for 4-(dimethylsulfamoyl)morpholine-2-carbothioamide?
The canonical SMILES for 4-(dimethylsulfamoyl)morpholine-2-carbothioamide is CN(C)S(=O)(=O)N1CCOC(C(N)=S)C1.
What is the InChIKey of 4-(dimethylsulfamoyl)morpholine-2-carbothioamide?
The InChIKey is OHLACCTXLSBOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O3S2/c1-9(2)15(11,12)10-3-4-13-6(5-10)7(8)14/h6H,3-5H2,1-2H3,(H2,8,14).
What are the key properties of 4-(dimethylsulfamoyl)morpholine-2-carbothioamide?
4-(dimethylsulfamoyl)morpholine-2-carbothioamide has a molecular weight of 253.35 g/mol, XLogP of -1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoyl)morpholine-2-carbothioamide is sourced from PubChem (CID 79674162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).