2-(tert-butylsulfamoylamino)-2-methylpropanethioamide

C8H19N3O2S2 — CID 114808112

IUPAC2-(tert-butylsulfamoylamino)-2-methylpropanethioamide
SMILESCC(C)(C)NS(=O)(=O)NC(C)(C)C(N)=S
InChIInChI=1S/C8H19N3O2S2/c1-7(2,3)10-15(12,13)11-8(4,5)6(9)14/h10-11H,1-5H3,(H2,9,14)
InChIKeyMBPKMSOSNBBMBD-UHFFFAOYSA-N
MW253.39 g/mol
LogP0.27
Rot. Bonds4

About 2-(tert-butylsulfamoylamino)-2-methylpropanethioamide

2-(tert-butylsulfamoylamino)-2-methylpropanethioamide (PubChem CID 114808112) has the molecular formula C8H19N3O2S2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-(tert-butylsulfamoylamino)-2-methylpropanethioamide.

Molecular Properties

Compound Name2-(tert-butylsulfamoylamino)-2-methylpropanethioamide
PubChem CID114808112
Molecular FormulaC8H19N3O2S2
Molecular Weight253.39 g/mol
Exact Mass253.09
IUPAC Name2-(tert-butylsulfamoylamino)-2-methylpropanethioamide
SMILESCC(C)(C)NS(=O)(=O)NC(C)(C)C(N)=S
InChIInChI=1S/C8H19N3O2S2/c1-7(2,3)10-15(12,13)11-8(4,5)6(9)14/h10-11H,1-5H3,(H2,9,14)
InChIKeyMBPKMSOSNBBMBD-UHFFFAOYSA-N
XLogP0.27
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 50.27
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-(Diethylsulfamoylamino)-2-methylpropanethioamide
CID 61118852
2-(Dimethylsulfamoylamino)-2-methylpropanethioamide
CID 61119259
2-(Methanesulfonamido)-2-methylpropanethioamide
CID 61119449
2-(Butylsulfonylamino)-2-methylpropanethioamide
CID 61121627
2-Methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]propanethioamide
CID 61454018
2-(Tert-butylsulfonylamino)-2-methylpropanethioamide
CID 63689351
2-(Tert-butylsulfonylamino)-2-methylbutanethioamide
CID 63689728
2-(Tert-butylsulfamoylamino)ethanethioamide
CID 114808105
2-(Ethylsulfamoylamino)-2-methylpropanethioamide
CID 114808108
2-Methyl-2-(methylsulfamoylamino)propanethioamide
CID 114808109
2-Methyl-2-(propylsulfamoylamino)propanethioamide
CID 114808110
2-Methyl-2-(propan-2-ylsulfamoylamino)propanethioamide
CID 114808111

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylsulfamoylamino)-2-methylpropanethioamide?
The IUPAC name of 2-(tert-butylsulfamoylamino)-2-methylpropanethioamide (CID 114808112) is 2-(tert-butylsulfamoylamino)-2-methylpropanethioamide.
What is the SMILES notation for 2-(tert-butylsulfamoylamino)-2-methylpropanethioamide?
The canonical SMILES for 2-(tert-butylsulfamoylamino)-2-methylpropanethioamide is CC(C)(C)NS(=O)(=O)NC(C)(C)C(N)=S.
What is the InChIKey of 2-(tert-butylsulfamoylamino)-2-methylpropanethioamide?
The InChIKey is MBPKMSOSNBBMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O2S2/c1-7(2,3)10-15(12,13)11-8(4,5)6(9)14/h10-11H,1-5H3,(H2,9,14).
What are the key properties of 2-(tert-butylsulfamoylamino)-2-methylpropanethioamide?
2-(tert-butylsulfamoylamino)-2-methylpropanethioamide has a molecular weight of 253.39 g/mol, XLogP of 0.27, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylsulfamoylamino)-2-methylpropanethioamide is sourced from PubChem (CID 114808112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).