2-(tert-butylsulfamoylamino)butanethioamide

C8H19N3O2S2 — CID 114808126

IUPAC2-(tert-butylsulfamoylamino)butanethioamide
SMILESCCC(NS(=O)(=O)NC(C)(C)C)C(N)=S
InChIInChI=1S/C8H19N3O2S2/c1-5-6(7(9)14)10-15(12,13)11-8(2,3)4/h6,10-11H,5H2,1-4H3,(H2,9,14)
InChIKeyDTPCBZMZACBEKK-UHFFFAOYSA-N
MW253.39 g/mol
LogP0.27
Rot. Bonds5

About 2-(tert-butylsulfamoylamino)butanethioamide

2-(tert-butylsulfamoylamino)butanethioamide (PubChem CID 114808126) has the molecular formula C8H19N3O2S2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-(tert-butylsulfamoylamino)butanethioamide.

Molecular Properties

Compound Name2-(tert-butylsulfamoylamino)butanethioamide
PubChem CID114808126
Molecular FormulaC8H19N3O2S2
Molecular Weight253.39 g/mol
Exact Mass253.09
IUPAC Name2-(tert-butylsulfamoylamino)butanethioamide
SMILESCCC(NS(=O)(=O)NC(C)(C)C)C(N)=S
InChIInChI=1S/C8H19N3O2S2/c1-5-6(7(9)14)10-15(12,13)11-8(2,3)4/h6,10-11H,5H2,1-4H3,(H2,9,14)
InChIKeyDTPCBZMZACBEKK-UHFFFAOYSA-N
XLogP0.27
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
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-Ethyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanethioamide
CID 54947202
2-(Diethylsulfamoylamino)-2-methylpropanethioamide
CID 61118852
2-(Diethylsulfamoylamino)-2-methylbutanethioamide
CID 61122681
2-(Diethylsulfamoylamino)butanethioamide
CID 61124244
2-(Dimethylsulfamoylamino)butanethioamide
CID 61125040
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(propan-2-yl)sulfamoyl]amino]pentanethioamide
CID 61454058
2-Methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanethioamide
CID 61454136
3-[[Methyl(propan-2-yl)sulfamoyl]amino]butanethioamide
CID 62093710
4-[[Methyl(propan-2-yl)sulfamoyl]amino]butanethioamide
CID 62666999

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylsulfamoylamino)butanethioamide?
The IUPAC name of 2-(tert-butylsulfamoylamino)butanethioamide (CID 114808126) is 2-(tert-butylsulfamoylamino)butanethioamide.
What is the SMILES notation for 2-(tert-butylsulfamoylamino)butanethioamide?
The canonical SMILES for 2-(tert-butylsulfamoylamino)butanethioamide is CCC(NS(=O)(=O)NC(C)(C)C)C(N)=S.
What is the InChIKey of 2-(tert-butylsulfamoylamino)butanethioamide?
The InChIKey is DTPCBZMZACBEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O2S2/c1-5-6(7(9)14)10-15(12,13)11-8(2,3)4/h6,10-11H,5H2,1-4H3,(H2,9,14).
What are the key properties of 2-(tert-butylsulfamoylamino)butanethioamide?
2-(tert-butylsulfamoylamino)butanethioamide has a molecular weight of 253.39 g/mol, XLogP of 0.27, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylsulfamoylamino)butanethioamide is sourced from PubChem (CID 114808126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).