2-(dimethylsulfamoylamino)butanethioamide

C6H15N3O2S2 — CID 61125040

IUPAC2-(dimethylsulfamoylamino)butanethioamide
SMILESCCC(NS(=O)(=O)N(C)C)C(N)=S
InChIInChI=1S/C6H15N3O2S2/c1-4-5(6(7)12)8-13(10,11)9(2)3/h5,8H,4H2,1-3H3,(H2,7,12)
InChIKeyXKGKPPSRSSMJNL-UHFFFAOYSA-N
MW225.34 g/mol
LogP-0.55
Rot. Bonds5

About 2-(dimethylsulfamoylamino)butanethioamide

2-(dimethylsulfamoylamino)butanethioamide (PubChem CID 61125040) has the molecular formula C6H15N3O2S2 and a molecular weight of 225.34 g/mol. Its IUPAC name is 2-(dimethylsulfamoylamino)butanethioamide.

Molecular Properties

Compound Name2-(dimethylsulfamoylamino)butanethioamide
PubChem CID61125040
Molecular FormulaC6H15N3O2S2
Molecular Weight225.34 g/mol
Exact Mass225.06
IUPAC Name2-(dimethylsulfamoylamino)butanethioamide
SMILESCCC(NS(=O)(=O)N(C)C)C(N)=S
InChIInChI=1S/C6H15N3O2S2/c1-4-5(6(7)12)8-13(10,11)9(2)3/h5,8H,4H2,1-3H3,(H2,7,12)
InChIKeyXKGKPPSRSSMJNL-UHFFFAOYSA-N
XLogP-0.55
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 5-0.55
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-(2,2,2-Trifluoroethylsulfamoylamino)butanethioamide
CID 114808121
2-[Methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanethioamide
CID 114808257
2-(Methanesulfonamido)butanethioamide
CID 61122638
2-(Diethylsulfamoylamino)pentanethioamide
CID 61122652
2-(Diethylsulfamoylamino)propanethioamide
CID 61123043
2-(Pyrrolidin-1-ylsulfonylamino)propanethioamide
CID 61123440
2-(Dimethylsulfamoylamino)pentanethioamide
CID 61123852
2-(Dimethylsulfamoylamino)propanethioamide
CID 61124040
2-(Diethylsulfamoylamino)butanethioamide
CID 61124244
2-(Diethylsulfamoylamino)ethanethioamide
CID 61127693
2-(Dimethylsulfamoylamino)ethanethioamide
CID 61127695
2-[[Methyl(propan-2-yl)sulfamoyl]amino]ethanethioamide
CID 61454017

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylsulfamoylamino)butanethioamide?
The IUPAC name of 2-(dimethylsulfamoylamino)butanethioamide (CID 61125040) is 2-(dimethylsulfamoylamino)butanethioamide.
What is the SMILES notation for 2-(dimethylsulfamoylamino)butanethioamide?
The canonical SMILES for 2-(dimethylsulfamoylamino)butanethioamide is CCC(NS(=O)(=O)N(C)C)C(N)=S.
What is the InChIKey of 2-(dimethylsulfamoylamino)butanethioamide?
The InChIKey is XKGKPPSRSSMJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3O2S2/c1-4-5(6(7)12)8-13(10,11)9(2)3/h5,8H,4H2,1-3H3,(H2,7,12).
What are the key properties of 2-(dimethylsulfamoylamino)butanethioamide?
2-(dimethylsulfamoylamino)butanethioamide has a molecular weight of 225.34 g/mol, XLogP of -0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylsulfamoylamino)butanethioamide is sourced from PubChem (CID 61125040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).