3-[diethylsulfamoyl(methyl)amino]propanethioamide

C8H19N3O2S2 — CID 28785108

IUPAC3-[diethylsulfamoyl(methyl)amino]propanethioamide
SMILESCCN(CC)S(=O)(=O)N(C)CCC(N)=S
InChIInChI=1S/C8H19N3O2S2/c1-4-11(5-2)15(12,13)10(3)7-6-8(9)14/h4-7H2,1-3H3,(H2,9,14)
InChIKeyOQZQQNFKEYORSO-UHFFFAOYSA-N
MW253.39 g/mol
LogP0.18
Rot. Bonds7

About 3-[diethylsulfamoyl(methyl)amino]propanethioamide

3-[diethylsulfamoyl(methyl)amino]propanethioamide (PubChem CID 28785108) has the molecular formula C8H19N3O2S2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 3-[diethylsulfamoyl(methyl)amino]propanethioamide.

Molecular Properties

Compound Name3-[diethylsulfamoyl(methyl)amino]propanethioamide
PubChem CID28785108
Molecular FormulaC8H19N3O2S2
Molecular Weight253.39 g/mol
Exact Mass253.09
IUPAC Name3-[diethylsulfamoyl(methyl)amino]propanethioamide
SMILESCCN(CC)S(=O)(=O)N(C)CCC(N)=S
InChIInChI=1S/C8H19N3O2S2/c1-4-11(5-2)15(12,13)10(3)7-6-8(9)14/h4-7H2,1-3H3,(H2,9,14)
InChIKeyOQZQQNFKEYORSO-UHFFFAOYSA-N
XLogP0.18
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N',N'-diethyl-1-sulfonylpropane-1,3-diamine;propane
CID 87515555
3-[Butylsulfonyl(methyl)amino]propanethioamide
CID 28387952
3-[Methyl(sulfamoyl)amino]propanethioamide
CID 28387963
3-[Methyl(pyrrolidin-1-ylsulfonyl)amino]propanethioamide
CID 28785099
3-[Methyl(piperidin-1-ylsulfonyl)amino]propanethioamide
CID 28785106
3-[Dimethylsulfamoyl(methyl)amino]propanethioamide
CID 28788440
3-[Ethyl(pyrrolidin-1-ylsulfonyl)amino]-2-methylpropanethioamide
CID 54987330
3-[Ethyl-[methyl(propan-2-yl)sulfamoyl]amino]-2-methylpropanethioamide
CID 54987470
3-[Diethylsulfamoyl(ethyl)amino]-2-methylpropanethioamide
CID 54988016
3-[Ethyl(piperidin-1-ylsulfonyl)amino]propanethioamide
CID 54992493
3-[Cyclopropyl-[methyl(propan-2-yl)sulfamoyl]amino]propanethioamide
CID 54996856
3-[Cyclopropyl(diethylsulfamoyl)amino]propanethioamide
CID 54997238

Frequently Asked Questions

What is the IUPAC name of 3-[diethylsulfamoyl(methyl)amino]propanethioamide?
The IUPAC name of 3-[diethylsulfamoyl(methyl)amino]propanethioamide (CID 28785108) is 3-[diethylsulfamoyl(methyl)amino]propanethioamide.
What is the SMILES notation for 3-[diethylsulfamoyl(methyl)amino]propanethioamide?
The canonical SMILES for 3-[diethylsulfamoyl(methyl)amino]propanethioamide is CCN(CC)S(=O)(=O)N(C)CCC(N)=S.
What is the InChIKey of 3-[diethylsulfamoyl(methyl)amino]propanethioamide?
The InChIKey is OQZQQNFKEYORSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O2S2/c1-4-11(5-2)15(12,13)10(3)7-6-8(9)14/h4-7H2,1-3H3,(H2,9,14).
What are the key properties of 3-[diethylsulfamoyl(methyl)amino]propanethioamide?
3-[diethylsulfamoyl(methyl)amino]propanethioamide has a molecular weight of 253.39 g/mol, XLogP of 0.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[diethylsulfamoyl(methyl)amino]propanethioamide is sourced from PubChem (CID 28785108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).