1-amino-3-(2-sulfamoylethyl)thiourea

C3H10N4O2S2 — CID 43552458

IUPAC1-amino-3-(2-sulfamoylethyl)thiourea
SMILESNNC(=S)NCCS(N)(=O)=O
InChIInChI=1S/C3H10N4O2S2/c4-7-3(10)6-1-2-11(5,8)9/h1-2,4H2,(H2,5,8,9)(H2,6,7,10)
InChIKeyURDQXEYVWJPFCC-UHFFFAOYSA-N
MW198.27 g/mol
LogP-2.39
Rot. Bonds3

About 1-amino-3-(2-sulfamoylethyl)thiourea

1-amino-3-(2-sulfamoylethyl)thiourea (PubChem CID 43552458) has the molecular formula C3H10N4O2S2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 1-amino-3-(2-sulfamoylethyl)thiourea.

Molecular Properties

Compound Name1-amino-3-(2-sulfamoylethyl)thiourea
PubChem CID43552458
Molecular FormulaC3H10N4O2S2
Molecular Weight198.27 g/mol
Exact Mass198.02
IUPAC Name1-amino-3-(2-sulfamoylethyl)thiourea
SMILESNNC(=S)NCCS(N)(=O)=O
InChIInChI=1S/C3H10N4O2S2/c4-7-3(10)6-1-2-11(5,8)9/h1-2,4H2,(H2,5,8,9)(H2,6,7,10)
InChIKeyURDQXEYVWJPFCC-UHFFFAOYSA-N
XLogP-2.39
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 5-2.39
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
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-methylsulfonylethyl)thiourea
CID 60919271
1-Amino-3-(3-sulfamoylpropyl)thiourea
CID 61883254
1-Amino-3-(2-ethylsulfonylethyl)thiourea
CID 105780839
1-Amino-3-[2-(methylsulfamoyl)ethyl]thiourea
CID 106339435
1-Amino-3-[2-(ethylsulfamoyl)ethyl]thiourea
CID 106339436

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(2-sulfamoylethyl)thiourea?
The IUPAC name of 1-amino-3-(2-sulfamoylethyl)thiourea (CID 43552458) is 1-amino-3-(2-sulfamoylethyl)thiourea.
What is the SMILES notation for 1-amino-3-(2-sulfamoylethyl)thiourea?
The canonical SMILES for 1-amino-3-(2-sulfamoylethyl)thiourea is NNC(=S)NCCS(N)(=O)=O.
What is the InChIKey of 1-amino-3-(2-sulfamoylethyl)thiourea?
The InChIKey is URDQXEYVWJPFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10N4O2S2/c4-7-3(10)6-1-2-11(5,8)9/h1-2,4H2,(H2,5,8,9)(H2,6,7,10).
What are the key properties of 1-amino-3-(2-sulfamoylethyl)thiourea?
1-amino-3-(2-sulfamoylethyl)thiourea has a molecular weight of 198.27 g/mol, XLogP of -2.39, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(2-sulfamoylethyl)thiourea is sourced from PubChem (CID 43552458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).