2-(diethylsulfamoylamino)-2-ethylbutanethioamide

C10H23N3O2S2 — CID 61124290

IUPAC2-(diethylsulfamoylamino)-2-ethylbutanethioamide
SMILESCCN(CC)S(=O)(=O)NC(CC)(CC)C(N)=S
InChIInChI=1S/C10H23N3O2S2/c1-5-10(6-2,9(11)16)12-17(14,15)13(7-3)8-4/h12H,5-8H2,1-4H3,(H2,11,16)
InChIKeyLVABPMSGNJHQKG-UHFFFAOYSA-N
MW281.45 g/mol
LogP1.01
Rot. Bonds8

About 2-(diethylsulfamoylamino)-2-ethylbutanethioamide

2-(diethylsulfamoylamino)-2-ethylbutanethioamide (PubChem CID 61124290) has the molecular formula C10H23N3O2S2 and a molecular weight of 281.45 g/mol. Its IUPAC name is 2-(diethylsulfamoylamino)-2-ethylbutanethioamide.

Molecular Properties

Compound Name2-(diethylsulfamoylamino)-2-ethylbutanethioamide
PubChem CID61124290
Molecular FormulaC10H23N3O2S2
Molecular Weight281.45 g/mol
Exact Mass281.12
IUPAC Name2-(diethylsulfamoylamino)-2-ethylbutanethioamide
SMILESCCN(CC)S(=O)(=O)NC(CC)(CC)C(N)=S
InChIInChI=1S/C10H23N3O2S2/c1-5-10(6-2,9(11)16)12-17(14,15)13(7-3)8-4/h12H,5-8H2,1-4H3,(H2,11,16)
InChIKeyLVABPMSGNJHQKG-UHFFFAOYSA-N
XLogP1.01
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.45
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[[Methyl(propan-2-yl)sulfamoyl]amino]cyclopentane-1-carbothioamide
CID 54947200
2-Ethyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanethioamide
CID 54947202
2-(Diethylsulfamoylamino)-2-methylpropanethioamide
CID 61118852
2-Methyl-2-(piperidin-1-ylsulfonylamino)propanethioamide
CID 61118853
2-Methyl-2-[(4-methylpiperidin-1-yl)sulfonylamino]propanethioamide
CID 61119053
1-(Diethylsulfamoylamino)cyclohexane-1-carbothioamide
CID 61122078
2-(Dimethylsulfamoylamino)-2-ethylbutanethioamide
CID 61122098
1-(Dimethylsulfamoylamino)cyclopentane-1-carbothioamide
CID 61122660
2-(Diethylsulfamoylamino)-2-methylbutanethioamide
CID 61122681
2-Methyl-2-(piperidin-1-ylsulfonylamino)butanethioamide
CID 61122682
2-Methyl-2-[(4-methylpiperidin-1-yl)sulfonylamino]butanethioamide
CID 61122684
2-Methyl-2-(pyrrolidin-1-ylsulfonylamino)butanethioamide
CID 61122884

Frequently Asked Questions

What is the IUPAC name of 2-(diethylsulfamoylamino)-2-ethylbutanethioamide?
The IUPAC name of 2-(diethylsulfamoylamino)-2-ethylbutanethioamide (CID 61124290) is 2-(diethylsulfamoylamino)-2-ethylbutanethioamide.
What is the SMILES notation for 2-(diethylsulfamoylamino)-2-ethylbutanethioamide?
The canonical SMILES for 2-(diethylsulfamoylamino)-2-ethylbutanethioamide is CCN(CC)S(=O)(=O)NC(CC)(CC)C(N)=S.
What is the InChIKey of 2-(diethylsulfamoylamino)-2-ethylbutanethioamide?
The InChIKey is LVABPMSGNJHQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O2S2/c1-5-10(6-2,9(11)16)12-17(14,15)13(7-3)8-4/h12H,5-8H2,1-4H3,(H2,11,16).
What are the key properties of 2-(diethylsulfamoylamino)-2-ethylbutanethioamide?
2-(diethylsulfamoylamino)-2-ethylbutanethioamide has a molecular weight of 281.45 g/mol, XLogP of 1.01, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylsulfamoylamino)-2-ethylbutanethioamide is sourced from PubChem (CID 61124290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).