2-(diethylsulfamoylamino)-2-methylbutanethioamide

C9H21N3O2S2 — CID 61122681

IUPAC2-(diethylsulfamoylamino)-2-methylbutanethioamide
SMILESCCN(CC)S(=O)(=O)NC(C)(CC)C(N)=S
InChIInChI=1S/C9H21N3O2S2/c1-5-9(4,8(10)15)11-16(13,14)12(6-2)7-3/h11H,5-7H2,1-4H3,(H2,10,15)
InChIKeyQJQKEHAXHWNRDL-UHFFFAOYSA-N
MW267.42 g/mol
LogP0.62
Rot. Bonds7

About 2-(diethylsulfamoylamino)-2-methylbutanethioamide

2-(diethylsulfamoylamino)-2-methylbutanethioamide (PubChem CID 61122681) has the molecular formula C9H21N3O2S2 and a molecular weight of 267.42 g/mol. Its IUPAC name is 2-(diethylsulfamoylamino)-2-methylbutanethioamide.

Molecular Properties

Compound Name2-(diethylsulfamoylamino)-2-methylbutanethioamide
PubChem CID61122681
Molecular FormulaC9H21N3O2S2
Molecular Weight267.42 g/mol
Exact Mass267.11
IUPAC Name2-(diethylsulfamoylamino)-2-methylbutanethioamide
SMILESCCN(CC)S(=O)(=O)NC(C)(CC)C(N)=S
InChIInChI=1S/C9H21N3O2S2/c1-5-9(4,8(10)15)11-16(13,14)12(6-2)7-3/h11H,5-7H2,1-4H3,(H2,10,15)
InChIKeyQJQKEHAXHWNRDL-UHFFFAOYSA-N
XLogP0.62
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(diethylsulfamoylamino)-2-methylbutanethioamide 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)-2-methylpropanethioamide
CID 61118852
2-Methyl-2-(pyrrolidin-1-ylsulfonylamino)propanethioamide
CID 61119054
2-(Dimethylsulfamoylamino)-2-methylpropanethioamide
CID 61119259
2-(Dimethylsulfamoylamino)-2-ethylbutanethioamide
CID 61122098
2-Methyl-2-(piperidin-1-ylsulfonylamino)butanethioamide
CID 61122682
2-Methyl-2-(pyrrolidin-1-ylsulfonylamino)butanethioamide
CID 61122884
2-(Azepan-1-ylsulfonylamino)-2-methylbutanethioamide
CID 61123091
2-(Dimethylsulfamoylamino)-2-methylbutanethioamide
CID 61123094
2-(Diethylsulfamoylamino)butanethioamide
CID 61124244
2-(Diethylsulfamoylamino)-2-ethylbutanethioamide
CID 61124290
1-(Diethylsulfamoylamino)cyclopentane-1-carbothioamide
CID 61124459

Frequently Asked Questions

What is the IUPAC name of 2-(diethylsulfamoylamino)-2-methylbutanethioamide?
The IUPAC name of 2-(diethylsulfamoylamino)-2-methylbutanethioamide (CID 61122681) is 2-(diethylsulfamoylamino)-2-methylbutanethioamide.
What is the SMILES notation for 2-(diethylsulfamoylamino)-2-methylbutanethioamide?
The canonical SMILES for 2-(diethylsulfamoylamino)-2-methylbutanethioamide is CCN(CC)S(=O)(=O)NC(C)(CC)C(N)=S.
What is the InChIKey of 2-(diethylsulfamoylamino)-2-methylbutanethioamide?
The InChIKey is QJQKEHAXHWNRDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O2S2/c1-5-9(4,8(10)15)11-16(13,14)12(6-2)7-3/h11H,5-7H2,1-4H3,(H2,10,15).
What are the key properties of 2-(diethylsulfamoylamino)-2-methylbutanethioamide?
2-(diethylsulfamoylamino)-2-methylbutanethioamide has a molecular weight of 267.42 g/mol, XLogP of 0.62, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylsulfamoylamino)-2-methylbutanethioamide is sourced from PubChem (CID 61122681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).