2-(dimethylsulfamoylamino)-2-methylpropanethioamide

C6H15N3O2S2 — CID 61119259

IUPAC2-(dimethylsulfamoylamino)-2-methylpropanethioamide
SMILESCN(C)S(=O)(=O)NC(C)(C)C(N)=S
InChIInChI=1S/C6H15N3O2S2/c1-6(2,5(7)12)8-13(10,11)9(3)4/h8H,1-4H3,(H2,7,12)
InChIKeyZODGSALTDVRSAD-UHFFFAOYSA-N
MW225.34 g/mol
LogP-0.55
Rot. Bonds4

About 2-(dimethylsulfamoylamino)-2-methylpropanethioamide

2-(dimethylsulfamoylamino)-2-methylpropanethioamide (PubChem CID 61119259) has the molecular formula C6H15N3O2S2 and a molecular weight of 225.34 g/mol. Its IUPAC name is 2-(dimethylsulfamoylamino)-2-methylpropanethioamide.

Molecular Properties

Compound Name2-(dimethylsulfamoylamino)-2-methylpropanethioamide
PubChem CID61119259
Molecular FormulaC6H15N3O2S2
Molecular Weight225.34 g/mol
Exact Mass225.06
IUPAC Name2-(dimethylsulfamoylamino)-2-methylpropanethioamide
SMILESCN(C)S(=O)(=O)NC(C)(C)C(N)=S
InChIInChI=1S/C6H15N3O2S2/c1-6(2,5(7)12)8-13(10,11)9(3)4/h8H,1-4H3,(H2,7,12)
InChIKeyZODGSALTDVRSAD-UHFFFAOYSA-N
XLogP-0.55
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 5-0.55
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-(Diethylsulfamoylamino)-2-methylpropanethioamide
CID 61118852
2-(Dimethylsulfamoylamino)-2-ethylbutanethioamide
CID 61122098
2-(Diethylsulfamoylamino)-2-methylbutanethioamide
CID 61122681
2-(Dimethylsulfamoylamino)-2-methylbutanethioamide
CID 61123094
2-(Dimethylsulfamoylamino)propanethioamide
CID 61124040
2-[[Methyl(propan-2-yl)sulfamoyl]amino]ethanethioamide
CID 61454017
2-Methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]propanethioamide
CID 61454018
2-Methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanethioamide
CID 61454136
2-[Dimethylsulfamoyl(methyl)amino]propanethioamide
CID 61886664
2-(Tert-butylsulfamoylamino)ethanethioamide
CID 114808105
2-(Ethylsulfamoylamino)-2-methylpropanethioamide
CID 114808108
2-Methyl-2-(methylsulfamoylamino)propanethioamide
CID 114808109

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylsulfamoylamino)-2-methylpropanethioamide?
The IUPAC name of 2-(dimethylsulfamoylamino)-2-methylpropanethioamide (CID 61119259) is 2-(dimethylsulfamoylamino)-2-methylpropanethioamide.
What is the SMILES notation for 2-(dimethylsulfamoylamino)-2-methylpropanethioamide?
The canonical SMILES for 2-(dimethylsulfamoylamino)-2-methylpropanethioamide is CN(C)S(=O)(=O)NC(C)(C)C(N)=S.
What is the InChIKey of 2-(dimethylsulfamoylamino)-2-methylpropanethioamide?
The InChIKey is ZODGSALTDVRSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3O2S2/c1-6(2,5(7)12)8-13(10,11)9(3)4/h8H,1-4H3,(H2,7,12).
What are the key properties of 2-(dimethylsulfamoylamino)-2-methylpropanethioamide?
2-(dimethylsulfamoylamino)-2-methylpropanethioamide has a molecular weight of 225.34 g/mol, XLogP of -0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylsulfamoylamino)-2-methylpropanethioamide is sourced from PubChem (CID 61119259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).