2-[bis(2-ethoxyethyl)sulfamoyl]propanethioamide

C11H24N2O4S2 — CID 82965583

IUPAC2-[bis(2-ethoxyethyl)sulfamoyl]propanethioamide
SMILESCCOCCN(CCOCC)S(=O)(=O)C(C)C(N)=S
InChIInChI=1S/C11H24N2O4S2/c1-4-16-8-6-13(7-9-17-5-2)19(14,15)10(3)11(12)18/h10H,4-9H2,1-3H3,(H2,12,18)
InChIKeyYOJFUGKZPZBLEF-UHFFFAOYSA-N
MW312.46 g/mol
LogP0.37
Rot. Bonds11

About 2-[bis(2-ethoxyethyl)sulfamoyl]propanethioamide

2-[bis(2-ethoxyethyl)sulfamoyl]propanethioamide (PubChem CID 82965583) has the molecular formula C11H24N2O4S2 and a molecular weight of 312.46 g/mol. Its IUPAC name is 2-[bis(2-ethoxyethyl)sulfamoyl]propanethioamide.

Molecular Properties

Compound Name2-[bis(2-ethoxyethyl)sulfamoyl]propanethioamide
PubChem CID82965583
Molecular FormulaC11H24N2O4S2
Molecular Weight312.46 g/mol
Exact Mass312.12
IUPAC Name2-[bis(2-ethoxyethyl)sulfamoyl]propanethioamide
SMILESCCOCCN(CCOCC)S(=O)(=O)C(C)C(N)=S
InChIInChI=1S/C11H24N2O4S2/c1-4-16-8-6-13(7-9-17-5-2)19(14,15)10(3)11(12)18/h10H,4-9H2,1-3H3,(H2,12,18)
InChIKeyYOJFUGKZPZBLEF-UHFFFAOYSA-N
XLogP0.37
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-ethoxyethyl)sulfamoyl]propanethioamide?
The IUPAC name of 2-[bis(2-ethoxyethyl)sulfamoyl]propanethioamide (CID 82965583) is 2-[bis(2-ethoxyethyl)sulfamoyl]propanethioamide.
What is the SMILES notation for 2-[bis(2-ethoxyethyl)sulfamoyl]propanethioamide?
The canonical SMILES for 2-[bis(2-ethoxyethyl)sulfamoyl]propanethioamide is CCOCCN(CCOCC)S(=O)(=O)C(C)C(N)=S.
What is the InChIKey of 2-[bis(2-ethoxyethyl)sulfamoyl]propanethioamide?
The InChIKey is YOJFUGKZPZBLEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O4S2/c1-4-16-8-6-13(7-9-17-5-2)19(14,15)10(3)11(12)18/h10H,4-9H2,1-3H3,(H2,12,18).
What are the key properties of 2-[bis(2-ethoxyethyl)sulfamoyl]propanethioamide?
2-[bis(2-ethoxyethyl)sulfamoyl]propanethioamide has a molecular weight of 312.46 g/mol, XLogP of 0.37, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-ethoxyethyl)sulfamoyl]propanethioamide is sourced from PubChem (CID 82965583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).