2-(dimethylsulfamoylamino)-2-methylbutanethioamide

C7H17N3O2S2 — CID 61123094

IUPAC2-(dimethylsulfamoylamino)-2-methylbutanethioamide
SMILESCCC(C)(NS(=O)(=O)N(C)C)C(N)=S
InChIInChI=1S/C7H17N3O2S2/c1-5-7(2,6(8)13)9-14(11,12)10(3)4/h9H,5H2,1-4H3,(H2,8,13)
InChIKeyISPDLSNELUILDM-UHFFFAOYSA-N
MW239.37 g/mol
LogP-0.16
Rot. Bonds5

About 2-(dimethylsulfamoylamino)-2-methylbutanethioamide

2-(dimethylsulfamoylamino)-2-methylbutanethioamide (PubChem CID 61123094) has the molecular formula C7H17N3O2S2 and a molecular weight of 239.37 g/mol. Its IUPAC name is 2-(dimethylsulfamoylamino)-2-methylbutanethioamide.

Molecular Properties

Compound Name2-(dimethylsulfamoylamino)-2-methylbutanethioamide
PubChem CID61123094
Molecular FormulaC7H17N3O2S2
Molecular Weight239.37 g/mol
Exact Mass239.08
IUPAC Name2-(dimethylsulfamoylamino)-2-methylbutanethioamide
SMILESCCC(C)(NS(=O)(=O)N(C)C)C(N)=S
InChIInChI=1S/C7H17N3O2S2/c1-5-7(2,6(8)13)9-14(11,12)10(3)4/h9H,5H2,1-4H3,(H2,8,13)
InChIKeyISPDLSNELUILDM-UHFFFAOYSA-N
XLogP-0.16
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.37
LogP ≤ 5-0.16
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

2-Ethyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanethioamide
CID 54947202
2-(Diethylsulfamoylamino)-2-methylpropanethioamide
CID 61118852
2-(Dimethylsulfamoylamino)-2-methylpropanethioamide
CID 61119259
2-(Dimethylsulfamoylamino)-2-ethylbutanethioamide
CID 61122098
2-(Diethylsulfamoylamino)-2-methylbutanethioamide
CID 61122681
2-(Diethylsulfamoylamino)-2-ethylbutanethioamide
CID 61124290
2-Methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]propanethioamide
CID 61454018
2-Methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanethioamide
CID 61454136
2-(Dimethylsulfamoylamino)-3-methylbutanethioamide
CID 64420275
3-Methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanethioamide
CID 64421120
2-(Ethylsulfamoylamino)-2-methylbutanethioamide
CID 114808163
2-Methyl-2-(methylsulfamoylamino)butanethioamide
CID 114808164

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylsulfamoylamino)-2-methylbutanethioamide?
The IUPAC name of 2-(dimethylsulfamoylamino)-2-methylbutanethioamide (CID 61123094) is 2-(dimethylsulfamoylamino)-2-methylbutanethioamide.
What is the SMILES notation for 2-(dimethylsulfamoylamino)-2-methylbutanethioamide?
The canonical SMILES for 2-(dimethylsulfamoylamino)-2-methylbutanethioamide is CCC(C)(NS(=O)(=O)N(C)C)C(N)=S.
What is the InChIKey of 2-(dimethylsulfamoylamino)-2-methylbutanethioamide?
The InChIKey is ISPDLSNELUILDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O2S2/c1-5-7(2,6(8)13)9-14(11,12)10(3)4/h9H,5H2,1-4H3,(H2,8,13).
What are the key properties of 2-(dimethylsulfamoylamino)-2-methylbutanethioamide?
2-(dimethylsulfamoylamino)-2-methylbutanethioamide has a molecular weight of 239.37 g/mol, XLogP of -0.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylsulfamoylamino)-2-methylbutanethioamide is sourced from PubChem (CID 61123094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).