1-amino-3-[2-(methylsulfamoyl)ethyl]thiourea

C4H12N4O2S2 — CID 106339435

IUPAC1-amino-3-[2-(methylsulfamoyl)ethyl]thiourea
SMILESCNS(=O)(=O)CCNC(=S)NN
InChIInChI=1S/C4H12N4O2S2/c1-6-12(9,10)3-2-7-4(11)8-5/h6H,2-3,5H2,1H3,(H2,7,8,11)
InChIKeyJERNDLQPLDFPQT-UHFFFAOYSA-N
MW212.30 g/mol
LogP-2.13
Rot. Bonds4

About 1-amino-3-[2-(methylsulfamoyl)ethyl]thiourea

1-amino-3-[2-(methylsulfamoyl)ethyl]thiourea (PubChem CID 106339435) has the molecular formula C4H12N4O2S2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 1-amino-3-[2-(methylsulfamoyl)ethyl]thiourea.

Molecular Properties

Compound Name1-amino-3-[2-(methylsulfamoyl)ethyl]thiourea
PubChem CID106339435
Molecular FormulaC4H12N4O2S2
Molecular Weight212.30 g/mol
Exact Mass212.04
IUPAC Name1-amino-3-[2-(methylsulfamoyl)ethyl]thiourea
SMILESCNS(=O)(=O)CCNC(=S)NN
InChIInChI=1S/C4H12N4O2S2/c1-6-12(9,10)3-2-7-4(11)8-5/h6H,2-3,5H2,1H3,(H2,7,8,11)
InChIKeyJERNDLQPLDFPQT-UHFFFAOYSA-N
XLogP-2.13
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 5-2.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

Sodium 1-amino-3-(2-sulfinatoethyl)thiourea
CID 18341744
N-[1-(5-sulfanylidene-2H-tetrazol-1-yl)ethyl]ethanesulfonamide
CID 20318715
Sodium 2-(aminocarbamothioylamino)ethanesulfinate
CID 23394740
Sodium (2-sulfoethylcarbamothioylamino)azanide
CID 139653020
Sodium 2-(aminocarbamothioylamino)ethanesulfonate
CID 158430165
2-(Aminocarbamothioylamino)ethanesulfinate
CID 18341745
2-(Aminocarbamothioylamino)ethanesulfinic acid
CID 23394741
1-Amino-3-[2-(methanesulfonamido)ethyl]thiourea
CID 43546188
1-Amino-3-(2-sulfamoylethyl)thiourea
CID 43552458
1-Amino-3-(2-methylsulfonylethyl)thiourea
CID 60919271
1-Amino-3-(3-methylsulfonylpropyl)thiourea
CID 61808004
1-Amino-3-(3-sulfamoylpropyl)thiourea
CID 61883254

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[2-(methylsulfamoyl)ethyl]thiourea?
The IUPAC name of 1-amino-3-[2-(methylsulfamoyl)ethyl]thiourea (CID 106339435) is 1-amino-3-[2-(methylsulfamoyl)ethyl]thiourea.
What is the SMILES notation for 1-amino-3-[2-(methylsulfamoyl)ethyl]thiourea?
The canonical SMILES for 1-amino-3-[2-(methylsulfamoyl)ethyl]thiourea is CNS(=O)(=O)CCNC(=S)NN.
What is the InChIKey of 1-amino-3-[2-(methylsulfamoyl)ethyl]thiourea?
The InChIKey is JERNDLQPLDFPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N4O2S2/c1-6-12(9,10)3-2-7-4(11)8-5/h6H,2-3,5H2,1H3,(H2,7,8,11).
What are the key properties of 1-amino-3-[2-(methylsulfamoyl)ethyl]thiourea?
1-amino-3-[2-(methylsulfamoyl)ethyl]thiourea has a molecular weight of 212.30 g/mol, XLogP of -2.13, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[2-(methylsulfamoyl)ethyl]thiourea is sourced from PubChem (CID 106339435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).