2-(methylsulfamoylamino)butanethioamide

C5H13N3O2S2 — CID 114808123

IUPAC2-(methylsulfamoylamino)butanethioamide
SMILESCCC(NS(=O)(=O)NC)C(N)=S
InChIInChI=1S/C5H13N3O2S2/c1-3-4(5(6)11)8-12(9,10)7-2/h4,7-8H,3H2,1-2H3,(H2,6,11)
InChIKeyDOCZRTFMKRANSP-UHFFFAOYSA-N
MW211.31 g/mol
LogP-0.90
Rot. Bonds5

About 2-(methylsulfamoylamino)butanethioamide

2-(methylsulfamoylamino)butanethioamide (PubChem CID 114808123) has the molecular formula C5H13N3O2S2 and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-(methylsulfamoylamino)butanethioamide.

Molecular Properties

Compound Name2-(methylsulfamoylamino)butanethioamide
PubChem CID114808123
Molecular FormulaC5H13N3O2S2
Molecular Weight211.31 g/mol
Exact Mass211.04
IUPAC Name2-(methylsulfamoylamino)butanethioamide
SMILESCCC(NS(=O)(=O)NC)C(N)=S
InChIInChI=1S/C5H13N3O2S2/c1-3-4(5(6)11)8-12(9,10)7-2/h4,7-8H,3H2,1-2H3,(H2,6,11)
InChIKeyDOCZRTFMKRANSP-UHFFFAOYSA-N
XLogP-0.90
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 5-0.90
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-(2,2,2-Trifluoroethylsulfamoylamino)propanethioamide
CID 114808114
2-(2,2,2-Trifluoroethylsulfamoylamino)butanethioamide
CID 114808121
2-(2,2,2-Trifluoroethylsulfamoylamino)pentanethioamide
CID 114808128
2-(Methanesulfonamido)pentanethioamide
CID 61124250
2-(Methanesulfonamido)propanethioamide
CID 61122438
2-(Methanesulfonamido)butanethioamide
CID 61122638
2-(Propan-2-ylsulfonylamino)butanethioamide
CID 61122844
2-(Diethylsulfamoylamino)propanethioamide
CID 61123043
2-(Propylsulfonylamino)butanethioamide
CID 61123246
2-(Ethylsulfonylamino)butanethioamide
CID 61123448
2-(Dimethylsulfamoylamino)pentanethioamide
CID 61123852
2-(Dimethylsulfamoylamino)propanethioamide
CID 61124040

Frequently Asked Questions

What is the IUPAC name of 2-(methylsulfamoylamino)butanethioamide?
The IUPAC name of 2-(methylsulfamoylamino)butanethioamide (CID 114808123) is 2-(methylsulfamoylamino)butanethioamide.
What is the SMILES notation for 2-(methylsulfamoylamino)butanethioamide?
The canonical SMILES for 2-(methylsulfamoylamino)butanethioamide is CCC(NS(=O)(=O)NC)C(N)=S.
What is the InChIKey of 2-(methylsulfamoylamino)butanethioamide?
The InChIKey is DOCZRTFMKRANSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3O2S2/c1-3-4(5(6)11)8-12(9,10)7-2/h4,7-8H,3H2,1-2H3,(H2,6,11).
What are the key properties of 2-(methylsulfamoylamino)butanethioamide?
2-(methylsulfamoylamino)butanethioamide has a molecular weight of 211.31 g/mol, XLogP of -0.90, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylsulfamoylamino)butanethioamide is sourced from PubChem (CID 114808123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).