2-(ethylsulfamoylamino)butanethioamide

C6H15N3O2S2 — CID 114808122

IUPAC2-(ethylsulfamoylamino)butanethioamide
SMILESCCNS(=O)(=O)NC(CC)C(N)=S
InChIInChI=1S/C6H15N3O2S2/c1-3-5(6(7)12)9-13(10,11)8-4-2/h5,8-9H,3-4H2,1-2H3,(H2,7,12)
InChIKeyWZCFRSXNBPZPRM-UHFFFAOYSA-N
MW225.34 g/mol
LogP-0.50
Rot. Bonds6

About 2-(ethylsulfamoylamino)butanethioamide

2-(ethylsulfamoylamino)butanethioamide (PubChem CID 114808122) has the molecular formula C6H15N3O2S2 and a molecular weight of 225.34 g/mol. Its IUPAC name is 2-(ethylsulfamoylamino)butanethioamide.

Molecular Properties

Compound Name2-(ethylsulfamoylamino)butanethioamide
PubChem CID114808122
Molecular FormulaC6H15N3O2S2
Molecular Weight225.34 g/mol
Exact Mass225.06
IUPAC Name2-(ethylsulfamoylamino)butanethioamide
SMILESCCNS(=O)(=O)NC(CC)C(N)=S
InChIInChI=1S/C6H15N3O2S2/c1-3-5(6(7)12)9-13(10,11)8-4-2/h5,8-9H,3-4H2,1-2H3,(H2,7,12)
InChIKeyWZCFRSXNBPZPRM-UHFFFAOYSA-N
XLogP-0.50
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(ethylsulfamoylamino)butanethioamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-(ethylsulfamoylamino)butanethioamide?
The IUPAC name of 2-(ethylsulfamoylamino)butanethioamide (CID 114808122) is 2-(ethylsulfamoylamino)butanethioamide.
What is the SMILES notation for 2-(ethylsulfamoylamino)butanethioamide?
The canonical SMILES for 2-(ethylsulfamoylamino)butanethioamide is CCNS(=O)(=O)NC(CC)C(N)=S.
What is the InChIKey of 2-(ethylsulfamoylamino)butanethioamide?
The InChIKey is WZCFRSXNBPZPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3O2S2/c1-3-5(6(7)12)9-13(10,11)8-4-2/h5,8-9H,3-4H2,1-2H3,(H2,7,12).
What are the key properties of 2-(ethylsulfamoylamino)butanethioamide?
2-(ethylsulfamoylamino)butanethioamide has a molecular weight of 225.34 g/mol, XLogP of -0.50, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylsulfamoylamino)butanethioamide is sourced from PubChem (CID 114808122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).