1-(4-sulfamoylphenyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea

C16H26N4O2S2 — CID 3259305

IUPAC1-(4-sulfamoylphenyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea
SMILESCC1(C)CC(NC(=S)Nc2ccc(S(N)(=O)=O)cc2)CC(C)(C)N1
InChIInChI=1S/C16H26N4O2S2/c1-15(2)9-12(10-16(3,4)20-15)19-14(23)18-11-5-7-13(8-6-11)24(17,21)22/h5-8,12,20H,9-10H2,1-4H3,(H2,17,21,22)(H2,18,19,23)
InChIKeyMLCTVWZUKLXYRL-UHFFFAOYSA-N
MW370.54 g/mol
LogP1.93
Rot. Bonds3

About 1-(4-sulfamoylphenyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea

1-(4-sulfamoylphenyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea (PubChem CID 3259305) has the molecular formula C16H26N4O2S2 and a molecular weight of 370.54 g/mol. Its IUPAC name is 1-(4-sulfamoylphenyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea.

Molecular Properties

Compound Name1-(4-sulfamoylphenyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea
PubChem CID3259305
Molecular FormulaC16H26N4O2S2
Molecular Weight370.54 g/mol
Exact Mass370.15
IUPAC Name1-(4-sulfamoylphenyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea
SMILESCC1(C)CC(NC(=S)Nc2ccc(S(N)(=O)=O)cc2)CC(C)(C)N1
InChIInChI=1S/C16H26N4O2S2/c1-15(2)9-12(10-16(3,4)20-15)19-14(23)18-11-5-7-13(8-6-11)24(17,21)22/h5-8,12,20H,9-10H2,1-4H3,(H2,17,21,22)(H2,18,19,23)
InChIKeyMLCTVWZUKLXYRL-UHFFFAOYSA-N
XLogP1.93
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.54
LogP ≤ 51.93
H-Bond Donors ≤ 54
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-(4-sulfamoylphenyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea?
The IUPAC name of 1-(4-sulfamoylphenyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea (CID 3259305) is 1-(4-sulfamoylphenyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea.
What is the SMILES notation for 1-(4-sulfamoylphenyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea?
The canonical SMILES for 1-(4-sulfamoylphenyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea is CC1(C)CC(NC(=S)Nc2ccc(S(N)(=O)=O)cc2)CC(C)(C)N1.
What is the InChIKey of 1-(4-sulfamoylphenyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea?
The InChIKey is MLCTVWZUKLXYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2S2/c1-15(2)9-12(10-16(3,4)20-15)19-14(23)18-11-5-7-13(8-6-11)24(17,21)22/h5-8,12,20H,9-10H2,1-4H3,(H2,17,21,22)(H2,18,19,23).
What are the key properties of 1-(4-sulfamoylphenyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea?
1-(4-sulfamoylphenyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea has a molecular weight of 370.54 g/mol, XLogP of 1.93, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-sulfamoylphenyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea is sourced from PubChem (CID 3259305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).