N-(2,3-dihydroindole-1-carbothioyl)cyclobutanecarboxamide

C14H16N2OS — CID 974475

IUPACN-(2,3-dihydroindole-1-carbothioyl)cyclobutanecarboxamide
SMILESO=C(NC(=S)N1CCc2ccccc21)C1CCC1
InChIInChI=1S/C14H16N2OS/c17-13(11-5-3-6-11)15-14(18)16-9-8-10-4-1-2-7-12(10)16/h1-2,4,7,11H,3,5-6,8-9H2,(H,15,17,18)
InChIKeyUKHWNMKXRMDKND-UHFFFAOYSA-N
MW260.36 g/mol
LogP2.25
Rot. Bonds1

About N-(2,3-dihydroindole-1-carbothioyl)cyclobutanecarboxamide

N-(2,3-dihydroindole-1-carbothioyl)cyclobutanecarboxamide (PubChem CID 974475) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is N-(2,3-dihydroindole-1-carbothioyl)cyclobutanecarboxamide.

Molecular Properties

Compound NameN-(2,3-dihydroindole-1-carbothioyl)cyclobutanecarboxamide
PubChem CID974475
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC NameN-(2,3-dihydroindole-1-carbothioyl)cyclobutanecarboxamide
SMILESO=C(NC(=S)N1CCc2ccccc21)C1CCC1
InChIInChI=1S/C14H16N2OS/c17-13(11-5-3-6-11)15-14(18)16-9-8-10-4-1-2-7-12(10)16/h1-2,4,7,11H,3,5-6,8-9H2,(H,15,17,18)
InChIKeyUKHWNMKXRMDKND-UHFFFAOYSA-N
XLogP2.25
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(2,3-dihydroindole-1-carbothioyl)cyclobutanecarboxamide?
The IUPAC name of N-(2,3-dihydroindole-1-carbothioyl)cyclobutanecarboxamide (CID 974475) is N-(2,3-dihydroindole-1-carbothioyl)cyclobutanecarboxamide.
What is the SMILES notation for N-(2,3-dihydroindole-1-carbothioyl)cyclobutanecarboxamide?
The canonical SMILES for N-(2,3-dihydroindole-1-carbothioyl)cyclobutanecarboxamide is O=C(NC(=S)N1CCc2ccccc21)C1CCC1.
What is the InChIKey of N-(2,3-dihydroindole-1-carbothioyl)cyclobutanecarboxamide?
The InChIKey is UKHWNMKXRMDKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c17-13(11-5-3-6-11)15-14(18)16-9-8-10-4-1-2-7-12(10)16/h1-2,4,7,11H,3,5-6,8-9H2,(H,15,17,18).
What are the key properties of N-(2,3-dihydroindole-1-carbothioyl)cyclobutanecarboxamide?
N-(2,3-dihydroindole-1-carbothioyl)cyclobutanecarboxamide has a molecular weight of 260.36 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroindole-1-carbothioyl)cyclobutanecarboxamide is sourced from PubChem (CID 974475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).