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

C5H14N4O2S2 — CID 106339437

IUPAC1-amino-3-[2-(dimethylsulfamoyl)ethyl]thiourea
SMILESCN(C)S(=O)(=O)CCNC(=S)NN
InChIInChI=1S/C5H14N4O2S2/c1-9(2)13(10,11)4-3-7-5(12)8-6/h3-4,6H2,1-2H3,(H2,7,8,12)
InChIKeyLZFSMNJYJAXCLN-UHFFFAOYSA-N
MW226.33 g/mol
LogP-1.78
Rot. Bonds4

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

1-amino-3-[2-(dimethylsulfamoyl)ethyl]thiourea (PubChem CID 106339437) has the molecular formula C5H14N4O2S2 and a molecular weight of 226.33 g/mol. Its IUPAC name is 1-amino-3-[2-(dimethylsulfamoyl)ethyl]thiourea.

Molecular Properties

Compound Name1-amino-3-[2-(dimethylsulfamoyl)ethyl]thiourea
PubChem CID106339437
Molecular FormulaC5H14N4O2S2
Molecular Weight226.33 g/mol
Exact Mass226.06
IUPAC Name1-amino-3-[2-(dimethylsulfamoyl)ethyl]thiourea
SMILESCN(C)S(=O)(=O)CCNC(=S)NN
InChIInChI=1S/C5H14N4O2S2/c1-9(2)13(10,11)4-3-7-5(12)8-6/h3-4,6H2,1-2H3,(H2,7,8,12)
InChIKeyLZFSMNJYJAXCLN-UHFFFAOYSA-N
XLogP-1.78
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.33
LogP ≤ 5-1.78
H-Bond Donors ≤ 53
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-(dimethylsulfamoyl)ethyl]thiourea?
The IUPAC name of 1-amino-3-[2-(dimethylsulfamoyl)ethyl]thiourea (CID 106339437) is 1-amino-3-[2-(dimethylsulfamoyl)ethyl]thiourea.
What is the SMILES notation for 1-amino-3-[2-(dimethylsulfamoyl)ethyl]thiourea?
The canonical SMILES for 1-amino-3-[2-(dimethylsulfamoyl)ethyl]thiourea is CN(C)S(=O)(=O)CCNC(=S)NN.
What is the InChIKey of 1-amino-3-[2-(dimethylsulfamoyl)ethyl]thiourea?
The InChIKey is LZFSMNJYJAXCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N4O2S2/c1-9(2)13(10,11)4-3-7-5(12)8-6/h3-4,6H2,1-2H3,(H2,7,8,12).
What are the key properties of 1-amino-3-[2-(dimethylsulfamoyl)ethyl]thiourea?
1-amino-3-[2-(dimethylsulfamoyl)ethyl]thiourea has a molecular weight of 226.33 g/mol, XLogP of -1.78, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[2-(dimethylsulfamoyl)ethyl]thiourea is sourced from PubChem (CID 106339437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).