2-[2-[ethyl(propyl)amino]ethylsulfamoyl]propanethioamide

C10H23N3O2S2 — CID 114132789

IUPAC2-[2-[ethyl(propyl)amino]ethylsulfamoyl]propanethioamide
SMILESCCCN(CC)CCNS(=O)(=O)C(C)C(N)=S
InChIInChI=1S/C10H23N3O2S2/c1-4-7-13(5-2)8-6-12-17(14,15)9(3)10(11)16/h9,12H,4-8H2,1-3H3,(H2,11,16)
InChIKeyWONNHMLJWBRFTN-UHFFFAOYSA-N
MW281.45 g/mol
LogP0.31
Rot. Bonds9

About 2-[2-[ethyl(propyl)amino]ethylsulfamoyl]propanethioamide

2-[2-[ethyl(propyl)amino]ethylsulfamoyl]propanethioamide (PubChem CID 114132789) has the molecular formula C10H23N3O2S2 and a molecular weight of 281.45 g/mol. Its IUPAC name is 2-[2-[ethyl(propyl)amino]ethylsulfamoyl]propanethioamide.

Molecular Properties

Compound Name2-[2-[ethyl(propyl)amino]ethylsulfamoyl]propanethioamide
PubChem CID114132789
Molecular FormulaC10H23N3O2S2
Molecular Weight281.45 g/mol
Exact Mass281.12
IUPAC Name2-[2-[ethyl(propyl)amino]ethylsulfamoyl]propanethioamide
SMILESCCCN(CC)CCNS(=O)(=O)C(C)C(N)=S
InChIInChI=1S/C10H23N3O2S2/c1-4-7-13(5-2)8-6-12-17(14,15)9(3)10(11)16/h9,12H,4-8H2,1-3H3,(H2,11,16)
InChIKeyWONNHMLJWBRFTN-UHFFFAOYSA-N
XLogP0.31
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.45
LogP ≤ 50.31
H-Bond Donors ≤ 52
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 2-[2-[ethyl(propyl)amino]ethylsulfamoyl]propanethioamide?
The IUPAC name of 2-[2-[ethyl(propyl)amino]ethylsulfamoyl]propanethioamide (CID 114132789) is 2-[2-[ethyl(propyl)amino]ethylsulfamoyl]propanethioamide.
What is the SMILES notation for 2-[2-[ethyl(propyl)amino]ethylsulfamoyl]propanethioamide?
The canonical SMILES for 2-[2-[ethyl(propyl)amino]ethylsulfamoyl]propanethioamide is CCCN(CC)CCNS(=O)(=O)C(C)C(N)=S.
What is the InChIKey of 2-[2-[ethyl(propyl)amino]ethylsulfamoyl]propanethioamide?
The InChIKey is WONNHMLJWBRFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O2S2/c1-4-7-13(5-2)8-6-12-17(14,15)9(3)10(11)16/h9,12H,4-8H2,1-3H3,(H2,11,16).
What are the key properties of 2-[2-[ethyl(propyl)amino]ethylsulfamoyl]propanethioamide?
2-[2-[ethyl(propyl)amino]ethylsulfamoyl]propanethioamide has a molecular weight of 281.45 g/mol, XLogP of 0.31, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[ethyl(propyl)amino]ethylsulfamoyl]propanethioamide is sourced from PubChem (CID 114132789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).