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

C10H15N3O2S2 — CID 7943075

IUPAC1-methyl-3-[2-(4-sulfamoylphenyl)ethyl]thiourea
SMILESCNC(=S)NCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C10H15N3O2S2/c1-12-10(16)13-7-6-8-2-4-9(5-3-8)17(11,14)15/h2-5H,6-7H2,1H3,(H2,11,14,15)(H2,12,13,16)
InChIKeyQUEXYRFTTHORFI-UHFFFAOYSA-N
MW273.38 g/mol
LogP-0.03
Rot. Bonds4

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

1-methyl-3-[2-(4-sulfamoylphenyl)ethyl]thiourea (PubChem CID 7943075) has the molecular formula C10H15N3O2S2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-methyl-3-[2-(4-sulfamoylphenyl)ethyl]thiourea.

Molecular Properties

Compound Name1-methyl-3-[2-(4-sulfamoylphenyl)ethyl]thiourea
PubChem CID7943075
Molecular FormulaC10H15N3O2S2
Molecular Weight273.38 g/mol
Exact Mass273.06
IUPAC Name1-methyl-3-[2-(4-sulfamoylphenyl)ethyl]thiourea
SMILESCNC(=S)NCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C10H15N3O2S2/c1-12-10(16)13-7-6-8-2-4-9(5-3-8)17(11,14)15/h2-5H,6-7H2,1H3,(H2,11,14,15)(H2,12,13,16)
InChIKeyQUEXYRFTTHORFI-UHFFFAOYSA-N
XLogP-0.03
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-3-[2-(4-sulfamoylphenyl)ethyl]thiourea
CID 748226
2-(4-sulfamoylphenyl)ethylcarbamodithioic acid
CID 82593514
1-(4-bromophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]thiourea
CID 25040998
1-[2-(4-chlorophenyl)ethyl]-3-(4-sulfamoylphenyl)thiourea
CID 1213468
N-[2-(4-hydroxyphenyl)ethyl]-N'-[2-(4-sulfamoylphenyl)ethyl]oxamide
CID 108503154
1-methyl-3-[2-(4-nitrophenyl)ethyl]thiourea
CID 141036087
4-[2-[2-(4-sulfonatophenyl)ethylcarbamothioylamino]ethyl]benzenesulfonate
CID 58709343
1-(3-chlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]thiourea
CID 3767794
1-(2-methoxy-5-methylphenyl)-3-[2-(4-sulfamoylphenyl)ethyl]thiourea
CID 3433038
N-[4-[2-(4-sulfamoylphenyl)ethylcarbamoylamino]phenyl]acetamide
CID 108989678
N-[2-(4-sulfamoylphenyl)ethylcarbamothioyl]thiophene-2-carboxamide
CID 2271589
(E)-N-[2-(4-sulfamoylphenyl)ethyl]but-2-enamide
CID 23320209

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2-(4-sulfamoylphenyl)ethyl]thiourea?
The IUPAC name of 1-methyl-3-[2-(4-sulfamoylphenyl)ethyl]thiourea (CID 7943075) is 1-methyl-3-[2-(4-sulfamoylphenyl)ethyl]thiourea.
What is the SMILES notation for 1-methyl-3-[2-(4-sulfamoylphenyl)ethyl]thiourea?
The canonical SMILES for 1-methyl-3-[2-(4-sulfamoylphenyl)ethyl]thiourea is CNC(=S)NCCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 1-methyl-3-[2-(4-sulfamoylphenyl)ethyl]thiourea?
The InChIKey is QUEXYRFTTHORFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S2/c1-12-10(16)13-7-6-8-2-4-9(5-3-8)17(11,14)15/h2-5H,6-7H2,1H3,(H2,11,14,15)(H2,12,13,16).
What are the key properties of 1-methyl-3-[2-(4-sulfamoylphenyl)ethyl]thiourea?
1-methyl-3-[2-(4-sulfamoylphenyl)ethyl]thiourea has a molecular weight of 273.38 g/mol, XLogP of -0.03, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-(4-sulfamoylphenyl)ethyl]thiourea is sourced from PubChem (CID 7943075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).