1-[2-(dimethylamino)ethyl]-3-(4-sulfamoylphenyl)thiourea

C11H18N4O2S2 — CID 11848185

IUPAC1-[2-(dimethylamino)ethyl]-3-(4-sulfamoylphenyl)thiourea
SMILESCN(C)CCNC(=S)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C11H18N4O2S2/c1-15(2)8-7-13-11(18)14-9-3-5-10(6-4-9)19(12,16)17/h3-6H,7-8H2,1-2H3,(H2,12,16,17)(H2,13,14,18)
InChIKeySGYDCWZOMUMRHB-UHFFFAOYSA-N
MW302.42 g/mol
LogP0.18
Rot. Bonds5

About 1-[2-(dimethylamino)ethyl]-3-(4-sulfamoylphenyl)thiourea

1-[2-(dimethylamino)ethyl]-3-(4-sulfamoylphenyl)thiourea (PubChem CID 11848185) has the molecular formula C11H18N4O2S2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-3-(4-sulfamoylphenyl)thiourea.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-3-(4-sulfamoylphenyl)thiourea
PubChem CID11848185
Molecular FormulaC11H18N4O2S2
Molecular Weight302.42 g/mol
Exact Mass302.09
IUPAC Name1-[2-(dimethylamino)ethyl]-3-(4-sulfamoylphenyl)thiourea
SMILESCN(C)CCNC(=S)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C11H18N4O2S2/c1-15(2)8-7-13-11(18)14-9-3-5-10(6-4-9)19(12,16)17/h3-6H,7-8H2,1-2H3,(H2,12,16,17)(H2,13,14,18)
InChIKeySGYDCWZOMUMRHB-UHFFFAOYSA-N
XLogP0.18
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-3-(4-sulfamoylphenyl)thiourea?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-3-(4-sulfamoylphenyl)thiourea (CID 11848185) is 1-[2-(dimethylamino)ethyl]-3-(4-sulfamoylphenyl)thiourea.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-3-(4-sulfamoylphenyl)thiourea?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-3-(4-sulfamoylphenyl)thiourea is CN(C)CCNC(=S)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-3-(4-sulfamoylphenyl)thiourea?
The InChIKey is SGYDCWZOMUMRHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S2/c1-15(2)8-7-13-11(18)14-9-3-5-10(6-4-9)19(12,16)17/h3-6H,7-8H2,1-2H3,(H2,12,16,17)(H2,13,14,18).
What are the key properties of 1-[2-(dimethylamino)ethyl]-3-(4-sulfamoylphenyl)thiourea?
1-[2-(dimethylamino)ethyl]-3-(4-sulfamoylphenyl)thiourea has a molecular weight of 302.42 g/mol, XLogP of 0.18, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-3-(4-sulfamoylphenyl)thiourea is sourced from PubChem (CID 11848185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).