2-(diethylsulfamoylamino)propanethioamide

C7H17N3O2S2 — CID 61123043

IUPAC2-(diethylsulfamoylamino)propanethioamide
SMILESCCN(CC)S(=O)(=O)NC(C)C(N)=S
InChIInChI=1S/C7H17N3O2S2/c1-4-10(5-2)14(11,12)9-6(3)7(8)13/h6,9H,4-5H2,1-3H3,(H2,8,13)
InChIKeyKDGMSAMNGVCSHM-UHFFFAOYSA-N
MW239.37 g/mol
LogP-0.16
Rot. Bonds6

About 2-(diethylsulfamoylamino)propanethioamide

2-(diethylsulfamoylamino)propanethioamide (PubChem CID 61123043) has the molecular formula C7H17N3O2S2 and a molecular weight of 239.37 g/mol. Its IUPAC name is 2-(diethylsulfamoylamino)propanethioamide.

Molecular Properties

Compound Name2-(diethylsulfamoylamino)propanethioamide
PubChem CID61123043
Molecular FormulaC7H17N3O2S2
Molecular Weight239.37 g/mol
Exact Mass239.08
IUPAC Name2-(diethylsulfamoylamino)propanethioamide
SMILESCCN(CC)S(=O)(=O)NC(C)C(N)=S
InChIInChI=1S/C7H17N3O2S2/c1-4-10(5-2)14(11,12)9-6(3)7(8)13/h6,9H,4-5H2,1-3H3,(H2,8,13)
InChIKeyKDGMSAMNGVCSHM-UHFFFAOYSA-N
XLogP-0.16
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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-[Propan-2-yl(2,2,2-trifluoroethylsulfamoyl)amino]ethanethioamide
CID 114808452
3-[Diethylsulfamoyl(propan-2-yl)amino]propanethioamide
CID 54997999
3-[[Methyl(propan-2-yl)sulfamoyl]-propan-2-ylamino]propanethioamide
CID 54998289
2-(Diethylsulfamoylamino)-2-methylpropanethioamide
CID 61118852
2-(Diethylsulfamoylamino)pentanethioamide
CID 61122652
2-(Pyrrolidin-1-ylsulfonylamino)propanethioamide
CID 61123440
2-(Dimethylsulfamoylamino)pentanethioamide
CID 61123852
1-Amino-2-(diethylsulfamoylamino)propane
CID 61123970
2-(Dimethylsulfamoylamino)propanethioamide
CID 61124040
2-(Diethylsulfamoylamino)butanethioamide
CID 61124244
2-(Pyrrolidin-1-ylsulfonylamino)butanethioamide
CID 61124443
2-(Dimethylsulfamoylamino)butanethioamide
CID 61125040

Frequently Asked Questions

What is the IUPAC name of 2-(diethylsulfamoylamino)propanethioamide?
The IUPAC name of 2-(diethylsulfamoylamino)propanethioamide (CID 61123043) is 2-(diethylsulfamoylamino)propanethioamide.
What is the SMILES notation for 2-(diethylsulfamoylamino)propanethioamide?
The canonical SMILES for 2-(diethylsulfamoylamino)propanethioamide is CCN(CC)S(=O)(=O)NC(C)C(N)=S.
What is the InChIKey of 2-(diethylsulfamoylamino)propanethioamide?
The InChIKey is KDGMSAMNGVCSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O2S2/c1-4-10(5-2)14(11,12)9-6(3)7(8)13/h6,9H,4-5H2,1-3H3,(H2,8,13).
What are the key properties of 2-(diethylsulfamoylamino)propanethioamide?
2-(diethylsulfamoylamino)propanethioamide has a molecular weight of 239.37 g/mol, XLogP of -0.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylsulfamoylamino)propanethioamide is sourced from PubChem (CID 61123043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).