N-[[4-(tert-butylsulfamoyl)phenyl]carbamothioyl]cyclopropanecarboxamide

C15H21N3O3S2 — CID 1015573

IUPACN-[[4-(tert-butylsulfamoyl)phenyl]carbamothioyl]cyclopropanecarboxamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(NC(=S)NC(=O)C2CC2)cc1
InChIInChI=1S/C15H21N3O3S2/c1-15(2,3)18-23(20,21)12-8-6-11(7-9-12)16-14(22)17-13(19)10-4-5-10/h6-10,18H,4-5H2,1-3H3,(H2,16,17,19,22)
InChIKeyIKLTZJXXVYQTEG-UHFFFAOYSA-N
MW355.49 g/mol
LogP1.99
Rot. Bonds4

About N-[[4-(tert-butylsulfamoyl)phenyl]carbamothioyl]cyclopropanecarboxamide

N-[[4-(tert-butylsulfamoyl)phenyl]carbamothioyl]cyclopropanecarboxamide (PubChem CID 1015573) has the molecular formula C15H21N3O3S2 and a molecular weight of 355.49 g/mol. Its IUPAC name is N-[[4-(tert-butylsulfamoyl)phenyl]carbamothioyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[4-(tert-butylsulfamoyl)phenyl]carbamothioyl]cyclopropanecarboxamide
PubChem CID1015573
Molecular FormulaC15H21N3O3S2
Molecular Weight355.49 g/mol
Exact Mass355.10
IUPAC NameN-[[4-(tert-butylsulfamoyl)phenyl]carbamothioyl]cyclopropanecarboxamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(NC(=S)NC(=O)C2CC2)cc1
InChIInChI=1S/C15H21N3O3S2/c1-15(2,3)18-23(20,21)12-8-6-11(7-9-12)16-14(22)17-13(19)10-4-5-10/h6-10,18H,4-5H2,1-3H3,(H2,16,17,19,22)
InChIKeyIKLTZJXXVYQTEG-UHFFFAOYSA-N
XLogP1.99
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 51.99
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 N-[[4-(tert-butylsulfamoyl)phenyl]carbamothioyl]cyclopropanecarboxamide?
The IUPAC name of N-[[4-(tert-butylsulfamoyl)phenyl]carbamothioyl]cyclopropanecarboxamide (CID 1015573) is N-[[4-(tert-butylsulfamoyl)phenyl]carbamothioyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[[4-(tert-butylsulfamoyl)phenyl]carbamothioyl]cyclopropanecarboxamide?
The canonical SMILES for N-[[4-(tert-butylsulfamoyl)phenyl]carbamothioyl]cyclopropanecarboxamide is CC(C)(C)NS(=O)(=O)c1ccc(NC(=S)NC(=O)C2CC2)cc1.
What is the InChIKey of N-[[4-(tert-butylsulfamoyl)phenyl]carbamothioyl]cyclopropanecarboxamide?
The InChIKey is IKLTZJXXVYQTEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3S2/c1-15(2,3)18-23(20,21)12-8-6-11(7-9-12)16-14(22)17-13(19)10-4-5-10/h6-10,18H,4-5H2,1-3H3,(H2,16,17,19,22).
What are the key properties of N-[[4-(tert-butylsulfamoyl)phenyl]carbamothioyl]cyclopropanecarboxamide?
N-[[4-(tert-butylsulfamoyl)phenyl]carbamothioyl]cyclopropanecarboxamide has a molecular weight of 355.49 g/mol, XLogP of 1.99, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(tert-butylsulfamoyl)phenyl]carbamothioyl]cyclopropanecarboxamide is sourced from PubChem (CID 1015573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).