2-ethyl-2-(methylsulfamoylamino)butanethioamide

C7H17N3O2S2 — CID 114808171

IUPAC2-ethyl-2-(methylsulfamoylamino)butanethioamide
SMILESCCC(CC)(NS(=O)(=O)NC)C(N)=S
InChIInChI=1S/C7H17N3O2S2/c1-4-7(5-2,6(8)13)10-14(11,12)9-3/h9-10H,4-5H2,1-3H3,(H2,8,13)
InChIKeyJLJDHFVRSBHXMW-UHFFFAOYSA-N
MW239.37 g/mol
LogP-0.11
Rot. Bonds6

About 2-ethyl-2-(methylsulfamoylamino)butanethioamide

2-ethyl-2-(methylsulfamoylamino)butanethioamide (PubChem CID 114808171) has the molecular formula C7H17N3O2S2 and a molecular weight of 239.37 g/mol. Its IUPAC name is 2-ethyl-2-(methylsulfamoylamino)butanethioamide.

Molecular Properties

Compound Name2-ethyl-2-(methylsulfamoylamino)butanethioamide
PubChem CID114808171
Molecular FormulaC7H17N3O2S2
Molecular Weight239.37 g/mol
Exact Mass239.08
IUPAC Name2-ethyl-2-(methylsulfamoylamino)butanethioamide
SMILESCCC(CC)(NS(=O)(=O)NC)C(N)=S
InChIInChI=1S/C7H17N3O2S2/c1-4-7(5-2,6(8)13)10-14(11,12)9-3/h9-10H,4-5H2,1-3H3,(H2,8,13)
InChIKeyJLJDHFVRSBHXMW-UHFFFAOYSA-N
XLogP-0.11
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.37
LogP ≤ 5-0.11
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-(2,2,2-trifluoroethylsulfamoylamino)butanethioamide
CID 114808169
2-Ethyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanethioamide
CID 54947202
2-(Dimethylsulfamoylamino)-2-ethylbutanethioamide
CID 61122098
2-(Dimethylsulfamoylamino)-2-methylbutanethioamide
CID 61123094
2-Ethyl-2-(methanesulfonamido)butanethioamide
CID 61124286
2-(Diethylsulfamoylamino)-2-ethylbutanethioamide
CID 61124290
2-(Tert-butylsulfonylamino)-2-ethylbutanethioamide
CID 63689729
2-Methyl-2-(methylsulfamoylamino)propanethioamide
CID 114808109
2-Methyl-2-(propylsulfamoylamino)propanethioamide
CID 114808110
2-Methyl-2-(propan-2-ylsulfamoylamino)propanethioamide
CID 114808111
2-(Tert-butylsulfamoylamino)propanethioamide
CID 114808119
2-(Tert-butylsulfamoylamino)butanethioamide
CID 114808126

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(methylsulfamoylamino)butanethioamide?
The IUPAC name of 2-ethyl-2-(methylsulfamoylamino)butanethioamide (CID 114808171) is 2-ethyl-2-(methylsulfamoylamino)butanethioamide.
What is the SMILES notation for 2-ethyl-2-(methylsulfamoylamino)butanethioamide?
The canonical SMILES for 2-ethyl-2-(methylsulfamoylamino)butanethioamide is CCC(CC)(NS(=O)(=O)NC)C(N)=S.
What is the InChIKey of 2-ethyl-2-(methylsulfamoylamino)butanethioamide?
The InChIKey is JLJDHFVRSBHXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O2S2/c1-4-7(5-2,6(8)13)10-14(11,12)9-3/h9-10H,4-5H2,1-3H3,(H2,8,13).
What are the key properties of 2-ethyl-2-(methylsulfamoylamino)butanethioamide?
2-ethyl-2-(methylsulfamoylamino)butanethioamide has a molecular weight of 239.37 g/mol, XLogP of -0.11, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(methylsulfamoylamino)butanethioamide is sourced from PubChem (CID 114808171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).