2-methyl-2-(propan-2-ylsulfamoylamino)propanethioamide

C7H17N3O2S2 — CID 114808111

IUPAC2-methyl-2-(propan-2-ylsulfamoylamino)propanethioamide
SMILESCC(C)NS(=O)(=O)NC(C)(C)C(N)=S
InChIInChI=1S/C7H17N3O2S2/c1-5(2)9-14(11,12)10-7(3,4)6(8)13/h5,9-10H,1-4H3,(H2,8,13)
InChIKeyFAKDRPYPWALCCB-UHFFFAOYSA-N
MW239.37 g/mol
LogP-0.12
Rot. Bonds5

About 2-methyl-2-(propan-2-ylsulfamoylamino)propanethioamide

2-methyl-2-(propan-2-ylsulfamoylamino)propanethioamide (PubChem CID 114808111) has the molecular formula C7H17N3O2S2 and a molecular weight of 239.37 g/mol. Its IUPAC name is 2-methyl-2-(propan-2-ylsulfamoylamino)propanethioamide.

Molecular Properties

Compound Name2-methyl-2-(propan-2-ylsulfamoylamino)propanethioamide
PubChem CID114808111
Molecular FormulaC7H17N3O2S2
Molecular Weight239.37 g/mol
Exact Mass239.08
IUPAC Name2-methyl-2-(propan-2-ylsulfamoylamino)propanethioamide
SMILESCC(C)NS(=O)(=O)NC(C)(C)C(N)=S
InChIInChI=1S/C7H17N3O2S2/c1-5(2)9-14(11,12)10-7(3,4)6(8)13/h5,9-10H,1-4H3,(H2,8,13)
InChIKeyFAKDRPYPWALCCB-UHFFFAOYSA-N
XLogP-0.12
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.37
LogP ≤ 5-0.12
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)propanethioamide
CID 114808107
2-(Diethylsulfamoylamino)-2-methylpropanethioamide
CID 61118852
2-(Diethylsulfamoylamino)propanethioamide
CID 61123043
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(propan-2-yl)sulfamoyl]amino]propanethioamide
CID 61454019
2-[[Methyl(propan-2-yl)sulfamoyl]amino]butanethioamide
CID 61454057
2-Methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanethioamide
CID 61454136
2-(Tert-butylsulfonylamino)propanethioamide
CID 63689352
2-(Tert-butylsulfonylamino)butanethioamide
CID 63689353
2-(Dimethylsulfamoylamino)-3-methylbutanethioamide
CID 64420275

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(propan-2-ylsulfamoylamino)propanethioamide?
The IUPAC name of 2-methyl-2-(propan-2-ylsulfamoylamino)propanethioamide (CID 114808111) is 2-methyl-2-(propan-2-ylsulfamoylamino)propanethioamide.
What is the SMILES notation for 2-methyl-2-(propan-2-ylsulfamoylamino)propanethioamide?
The canonical SMILES for 2-methyl-2-(propan-2-ylsulfamoylamino)propanethioamide is CC(C)NS(=O)(=O)NC(C)(C)C(N)=S.
What is the InChIKey of 2-methyl-2-(propan-2-ylsulfamoylamino)propanethioamide?
The InChIKey is FAKDRPYPWALCCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O2S2/c1-5(2)9-14(11,12)10-7(3,4)6(8)13/h5,9-10H,1-4H3,(H2,8,13).
What are the key properties of 2-methyl-2-(propan-2-ylsulfamoylamino)propanethioamide?
2-methyl-2-(propan-2-ylsulfamoylamino)propanethioamide has a molecular weight of 239.37 g/mol, XLogP of -0.12, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(propan-2-ylsulfamoylamino)propanethioamide is sourced from PubChem (CID 114808111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).