2-methyl-2-(propylsulfamoylamino)butanethioamide

C8H19N3O2S2 — CID 114808165

IUPAC2-methyl-2-(propylsulfamoylamino)butanethioamide
SMILESCCCNS(=O)(=O)NC(C)(CC)C(N)=S
InChIInChI=1S/C8H19N3O2S2/c1-4-6-10-15(12,13)11-8(3,5-2)7(9)14/h10-11H,4-6H2,1-3H3,(H2,9,14)
InChIKeyQBVJNKDOJZZDJQ-UHFFFAOYSA-N
MW253.39 g/mol
LogP0.28
Rot. Bonds7

About 2-methyl-2-(propylsulfamoylamino)butanethioamide

2-methyl-2-(propylsulfamoylamino)butanethioamide (PubChem CID 114808165) has the molecular formula C8H19N3O2S2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-methyl-2-(propylsulfamoylamino)butanethioamide.

Molecular Properties

Compound Name2-methyl-2-(propylsulfamoylamino)butanethioamide
PubChem CID114808165
Molecular FormulaC8H19N3O2S2
Molecular Weight253.39 g/mol
Exact Mass253.09
IUPAC Name2-methyl-2-(propylsulfamoylamino)butanethioamide
SMILESCCCNS(=O)(=O)NC(C)(CC)C(N)=S
InChIInChI=1S/C8H19N3O2S2/c1-4-6-10-15(12,13)11-8(3,5-2)7(9)14/h10-11H,4-6H2,1-3H3,(H2,9,14)
InChIKeyQBVJNKDOJZZDJQ-UHFFFAOYSA-N
XLogP0.28
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 50.28
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-Ethyl-2-(2,2,2-trifluoroethylsulfamoylamino)butanethioamide
CID 114808169
2-Ethyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanethioamide
CID 54947202
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-(Diethylsulfamoylamino)-2-ethylbutanethioamide
CID 61124290
2-Methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]propanethioamide
CID 61454018
2-[[Methyl(propan-2-yl)sulfamoyl]amino]butanethioamide
CID 61454057
2-Methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanethioamide
CID 61454136
N-(1-amino-2-methylbutan-2-yl)-2-methylpropane-2-sulfonamide
CID 63688394

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(propylsulfamoylamino)butanethioamide?
The IUPAC name of 2-methyl-2-(propylsulfamoylamino)butanethioamide (CID 114808165) is 2-methyl-2-(propylsulfamoylamino)butanethioamide.
What is the SMILES notation for 2-methyl-2-(propylsulfamoylamino)butanethioamide?
The canonical SMILES for 2-methyl-2-(propylsulfamoylamino)butanethioamide is CCCNS(=O)(=O)NC(C)(CC)C(N)=S.
What is the InChIKey of 2-methyl-2-(propylsulfamoylamino)butanethioamide?
The InChIKey is QBVJNKDOJZZDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O2S2/c1-4-6-10-15(12,13)11-8(3,5-2)7(9)14/h10-11H,4-6H2,1-3H3,(H2,9,14).
What are the key properties of 2-methyl-2-(propylsulfamoylamino)butanethioamide?
2-methyl-2-(propylsulfamoylamino)butanethioamide has a molecular weight of 253.39 g/mol, XLogP of 0.28, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(propylsulfamoylamino)butanethioamide is sourced from PubChem (CID 114808165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).