2-(tert-butylsulfamoylamino)ethanethioamide

C6H15N3O2S2 — CID 114808105

IUPAC2-(tert-butylsulfamoylamino)ethanethioamide
SMILESCC(C)(C)NS(=O)(=O)NCC(N)=S
InChIInChI=1S/C6H15N3O2S2/c1-6(2,3)9-13(10,11)8-4-5(7)12/h8-9H,4H2,1-3H3,(H2,7,12)
InChIKeyITDDAEZNGHUQPQ-UHFFFAOYSA-N
MW225.34 g/mol
LogP-0.50
Rot. Bonds4

About 2-(tert-butylsulfamoylamino)ethanethioamide

2-(tert-butylsulfamoylamino)ethanethioamide (PubChem CID 114808105) has the molecular formula C6H15N3O2S2 and a molecular weight of 225.34 g/mol. Its IUPAC name is 2-(tert-butylsulfamoylamino)ethanethioamide.

Molecular Properties

Compound Name2-(tert-butylsulfamoylamino)ethanethioamide
PubChem CID114808105
Molecular FormulaC6H15N3O2S2
Molecular Weight225.34 g/mol
Exact Mass225.06
IUPAC Name2-(tert-butylsulfamoylamino)ethanethioamide
SMILESCC(C)(C)NS(=O)(=O)NCC(N)=S
InChIInChI=1S/C6H15N3O2S2/c1-6(2,3)9-13(10,11)8-4-5(7)12/h8-9H,4H2,1-3H3,(H2,7,12)
InChIKeyITDDAEZNGHUQPQ-UHFFFAOYSA-N
XLogP-0.50
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Methyl-2-(2,2,2-trifluoroethylsulfamoylamino)butanethioamide
CID 113637077
2-Methyl-2-(2,2,2-trifluoroethylsulfamoylamino)propanethioamide
CID 114808107
1-Amino-2-methyl-2-(sulfamoylamino)propane
CID 114958574
2-(Dimethylsulfamoylamino)-2-methylpropanethioamide
CID 61119259
2-(Dimethylsulfamoylamino)propanethioamide
CID 61124040
2-[[Methyl(propan-2-yl)sulfamoyl]amino]ethanethioamide
CID 61454017
2-(Tert-butylsulfonylamino)ethanethioamide
CID 63689171
2-methyl-2-N-(methylsulfamoyl)propane-1,2-diamine
CID 114803661
2-(Ethylsulfamoylamino)ethanethioamide
CID 114808101
2-(Methylsulfamoylamino)ethanethioamide
CID 114808102
2-(Propylsulfamoylamino)ethanethioamide
CID 114808103
2-(Propan-2-ylsulfamoylamino)ethanethioamide
CID 114808104

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylsulfamoylamino)ethanethioamide?
The IUPAC name of 2-(tert-butylsulfamoylamino)ethanethioamide (CID 114808105) is 2-(tert-butylsulfamoylamino)ethanethioamide.
What is the SMILES notation for 2-(tert-butylsulfamoylamino)ethanethioamide?
The canonical SMILES for 2-(tert-butylsulfamoylamino)ethanethioamide is CC(C)(C)NS(=O)(=O)NCC(N)=S.
What is the InChIKey of 2-(tert-butylsulfamoylamino)ethanethioamide?
The InChIKey is ITDDAEZNGHUQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3O2S2/c1-6(2,3)9-13(10,11)8-4-5(7)12/h8-9H,4H2,1-3H3,(H2,7,12).
What are the key properties of 2-(tert-butylsulfamoylamino)ethanethioamide?
2-(tert-butylsulfamoylamino)ethanethioamide has a molecular weight of 225.34 g/mol, XLogP of -0.50, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylsulfamoylamino)ethanethioamide is sourced from PubChem (CID 114808105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).