2-(tert-butylsulfamoylamino)pentanethioamide

C9H21N3O2S2 — CID 114808133

IUPAC2-(tert-butylsulfamoylamino)pentanethioamide
SMILESCCCC(NS(=O)(=O)NC(C)(C)C)C(N)=S
InChIInChI=1S/C9H21N3O2S2/c1-5-6-7(8(10)15)11-16(13,14)12-9(2,3)4/h7,11-12H,5-6H2,1-4H3,(H2,10,15)
InChIKeyZIUZGRLVILYTKA-UHFFFAOYSA-N
MW267.42 g/mol
LogP0.66
Rot. Bonds6

About 2-(tert-butylsulfamoylamino)pentanethioamide

2-(tert-butylsulfamoylamino)pentanethioamide (PubChem CID 114808133) has the molecular formula C9H21N3O2S2 and a molecular weight of 267.42 g/mol. Its IUPAC name is 2-(tert-butylsulfamoylamino)pentanethioamide.

Molecular Properties

Compound Name2-(tert-butylsulfamoylamino)pentanethioamide
PubChem CID114808133
Molecular FormulaC9H21N3O2S2
Molecular Weight267.42 g/mol
Exact Mass267.11
IUPAC Name2-(tert-butylsulfamoylamino)pentanethioamide
SMILESCCCC(NS(=O)(=O)NC(C)(C)C)C(N)=S
InChIInChI=1S/C9H21N3O2S2/c1-5-6-7(8(10)15)11-16(13,14)12-9(2,3)4/h7,11-12H,5-6H2,1-4H3,(H2,10,15)
InChIKeyZIUZGRLVILYTKA-UHFFFAOYSA-N
XLogP0.66
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(tert-butylsulfamoylamino)pentanethioamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Ethyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanethioamide
CID 54947202
2-(Diethylsulfamoylamino)pentanethioamide
CID 61122652
2-(Dimethylsulfamoylamino)pentanethioamide
CID 61123852
2-Methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]propanethioamide
CID 61454018
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]pentanethioamide
CID 62652373
3-(Tert-butylsulfonylamino)pentanethioamide
CID 63688054
2-(Tert-butylsulfonylamino)butanethioamide
CID 63689353
2-(Tert-butylsulfonylamino)pentanethioamide
CID 63689354
5-[[Methyl(propan-2-yl)sulfamoyl]amino]pentanethioamide
CID 64421819

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylsulfamoylamino)pentanethioamide?
The IUPAC name of 2-(tert-butylsulfamoylamino)pentanethioamide (CID 114808133) is 2-(tert-butylsulfamoylamino)pentanethioamide.
What is the SMILES notation for 2-(tert-butylsulfamoylamino)pentanethioamide?
The canonical SMILES for 2-(tert-butylsulfamoylamino)pentanethioamide is CCCC(NS(=O)(=O)NC(C)(C)C)C(N)=S.
What is the InChIKey of 2-(tert-butylsulfamoylamino)pentanethioamide?
The InChIKey is ZIUZGRLVILYTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O2S2/c1-5-6-7(8(10)15)11-16(13,14)12-9(2,3)4/h7,11-12H,5-6H2,1-4H3,(H2,10,15).
What are the key properties of 2-(tert-butylsulfamoylamino)pentanethioamide?
2-(tert-butylsulfamoylamino)pentanethioamide has a molecular weight of 267.42 g/mol, XLogP of 0.66, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylsulfamoylamino)pentanethioamide is sourced from PubChem (CID 114808133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).