2-(ethylsulfamoylamino)propanethioamide

C5H13N3O2S2 — CID 114808115

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

About 2-(ethylsulfamoylamino)propanethioamide

2-(ethylsulfamoylamino)propanethioamide (PubChem CID 114808115) has the molecular formula C5H13N3O2S2 and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-(ethylsulfamoylamino)propanethioamide.

Molecular Properties

Compound Name2-(ethylsulfamoylamino)propanethioamide
PubChem CID114808115
Molecular FormulaC5H13N3O2S2
Molecular Weight211.31 g/mol
Exact Mass211.04
IUPAC Name2-(ethylsulfamoylamino)propanethioamide
SMILESCCNS(=O)(=O)NC(C)C(N)=S
InChIInChI=1S/C5H13N3O2S2/c1-3-7-12(9,10)8-4(2)5(6)11/h4,7-8H,3H2,1-2H3,(H2,6,11)
InChIKeyLURMUURPGXSVPG-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'}

Analyze 2-(ethylsulfamoylamino)propanethioamide 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

ethyl 2-(ethylsulfamoylamino)propanoate
CID 115638422
tert-butyl (2S)-2-(ethylsulfamoylamino)propanoate
CID 103821556
methyl 2-(ethylsulfamoylamino)-3-methylbutanoate
CID 114811430
2-(propan-2-ylsulfamoylamino)ethanethioamide
CID 114808104
2-ethyl-2-(ethylsulfamoylamino)butanethioamide
CID 114808170
methyl 2-(2-methoxyethylsulfamoylamino)propanoate
CID 114816323
2-(propan-2-ylsulfonylamino)butanethioamide
CID 61122844
1-N-(ethylsulfamoyl)-4-methylpentane-1,2-diamine
CID 114810500
(ethylsulfamoylamino)methanol
CID 117126069
1-(ethylsulfamoylamino)cycloheptane-1-carbothioamide
CID 114808160
3-(methylsulfamoylamino)butanethioamide
CID 114808266
2-(ethylsulfamoylamino)-N'-hydroxyethanimidamide
CID 104978310

Frequently Asked Questions

What is the IUPAC name of 2-(ethylsulfamoylamino)propanethioamide?
The IUPAC name of 2-(ethylsulfamoylamino)propanethioamide (CID 114808115) is 2-(ethylsulfamoylamino)propanethioamide.
What is the SMILES notation for 2-(ethylsulfamoylamino)propanethioamide?
The canonical SMILES for 2-(ethylsulfamoylamino)propanethioamide is CCNS(=O)(=O)NC(C)C(N)=S.
What is the InChIKey of 2-(ethylsulfamoylamino)propanethioamide?
The InChIKey is LURMUURPGXSVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3O2S2/c1-3-7-12(9,10)8-4(2)5(6)11/h4,7-8H,3H2,1-2H3,(H2,6,11).
What are the key properties of 2-(ethylsulfamoylamino)propanethioamide?
2-(ethylsulfamoylamino)propanethioamide 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-(ethylsulfamoylamino)propanethioamide is sourced from PubChem (CID 114808115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).