2-[ethylsulfamoyl(propyl)amino]ethanethioamide

C7H17N3O2S2 — CID 114808251

IUPAC2-[ethylsulfamoyl(propyl)amino]ethanethioamide
SMILESCCCN(CC(N)=S)S(=O)(=O)NCC
InChIInChI=1S/C7H17N3O2S2/c1-3-5-10(6-7(8)13)14(11,12)9-4-2/h9H,3-6H2,1-2H3,(H2,8,13)
InChIKeyQTXSNJFOEIWZGV-UHFFFAOYSA-N
MW239.37 g/mol
LogP-0.16
Rot. Bonds7

About 2-[ethylsulfamoyl(propyl)amino]ethanethioamide

2-[ethylsulfamoyl(propyl)amino]ethanethioamide (PubChem CID 114808251) has the molecular formula C7H17N3O2S2 and a molecular weight of 239.37 g/mol. Its IUPAC name is 2-[ethylsulfamoyl(propyl)amino]ethanethioamide.

Molecular Properties

Compound Name2-[ethylsulfamoyl(propyl)amino]ethanethioamide
PubChem CID114808251
Molecular FormulaC7H17N3O2S2
Molecular Weight239.37 g/mol
Exact Mass239.08
IUPAC Name2-[ethylsulfamoyl(propyl)amino]ethanethioamide
SMILESCCCN(CC(N)=S)S(=O)(=O)NCC
InChIInChI=1S/C7H17N3O2S2/c1-3-5-10(6-7(8)13)14(11,12)9-4-2/h9H,3-6H2,1-2H3,(H2,8,13)
InChIKeyQTXSNJFOEIWZGV-UHFFFAOYSA-N
XLogP-0.16
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.37
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[cyclopentyl(ethylsulfamoyl)amino]ethanethioamide
CID 114808448
1-[ethylsulfamoyl(2-hydroxyethyl)amino]-2-hydroxyethane
CID 115899468
3-[ethylsulfamoyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide
CID 104978381
N'-hydroxy-2-[2-methylpropylsulfamoyl(propyl)amino]ethanimidamide
CID 104978790
2-[oxolan-2-ylmethylsulfonyl(propyl)amino]ethanethioamide
CID 55173354
ethyl 2-[ethyl(ethylsulfamoyl)amino]acetate
CID 115638420
2-[(2,4-dichloro-3-fluorophenyl)sulfonyl-propylamino]ethanethioamide
CID 103088140
3-[cyclopropyl(ethylsulfamoyl)amino]propanimidamide
CID 114813476
1-[(dipropylsulfamoylamino)methyl]-1-hydroxycycloheptane
CID 65122112
1-[[propyl(prop-2-ynyl)sulfamoyl]amino]propane
CID 114812596
2-[propyl(sulfamoyl)amino]ethanimidamide
CID 114959687
ethyl 2-[2-methoxyethylsulfamoyl(propyl)amino]acetate
CID 114816314

Frequently Asked Questions

What is the IUPAC name of 2-[ethylsulfamoyl(propyl)amino]ethanethioamide?
The IUPAC name of 2-[ethylsulfamoyl(propyl)amino]ethanethioamide (CID 114808251) is 2-[ethylsulfamoyl(propyl)amino]ethanethioamide.
What is the SMILES notation for 2-[ethylsulfamoyl(propyl)amino]ethanethioamide?
The canonical SMILES for 2-[ethylsulfamoyl(propyl)amino]ethanethioamide is CCCN(CC(N)=S)S(=O)(=O)NCC.
What is the InChIKey of 2-[ethylsulfamoyl(propyl)amino]ethanethioamide?
The InChIKey is QTXSNJFOEIWZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O2S2/c1-3-5-10(6-7(8)13)14(11,12)9-4-2/h9H,3-6H2,1-2H3,(H2,8,13).
What are the key properties of 2-[ethylsulfamoyl(propyl)amino]ethanethioamide?
2-[ethylsulfamoyl(propyl)amino]ethanethioamide has a molecular weight of 239.37 g/mol, XLogP of -0.16, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethylsulfamoyl(propyl)amino]ethanethioamide is sourced from PubChem (CID 114808251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).