1-carbamothioyl-N-(2,3-dihydro-1H-inden-2-yl)cyclobutane-1-carboxamide

C15H18N2OS — CID 107854441

IUPAC1-carbamothioyl-N-(2,3-dihydro-1H-inden-2-yl)cyclobutane-1-carboxamide
SMILESNC(=S)C1(C(=O)NC2Cc3ccccc3C2)CCC1
InChIInChI=1S/C15H18N2OS/c16-13(19)15(6-3-7-15)14(18)17-12-8-10-4-1-2-5-11(10)9-12/h1-2,4-5,12H,3,6-9H2,(H2,16,19)(H,17,18)
InChIKeyTXNFUXXRBDJLQB-UHFFFAOYSA-N
MW274.39 g/mol
LogP1.73
Rot. Bonds3

About 1-carbamothioyl-N-(2,3-dihydro-1H-inden-2-yl)cyclobutane-1-carboxamide

1-carbamothioyl-N-(2,3-dihydro-1H-inden-2-yl)cyclobutane-1-carboxamide (PubChem CID 107854441) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 1-carbamothioyl-N-(2,3-dihydro-1H-inden-2-yl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-carbamothioyl-N-(2,3-dihydro-1H-inden-2-yl)cyclobutane-1-carboxamide
PubChem CID107854441
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name1-carbamothioyl-N-(2,3-dihydro-1H-inden-2-yl)cyclobutane-1-carboxamide
SMILESNC(=S)C1(C(=O)NC2Cc3ccccc3C2)CCC1
InChIInChI=1S/C15H18N2OS/c16-13(19)15(6-3-7-15)14(18)17-12-8-10-4-1-2-5-11(10)9-12/h1-2,4-5,12H,3,6-9H2,(H2,16,19)(H,17,18)
InChIKeyTXNFUXXRBDJLQB-UHFFFAOYSA-N
XLogP1.73
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-carbamothioyl-N-(2,3-dihydro-1H-inden-2-yl)cyclobutane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-carbamothioyl-N-(2,3-dihydro-1H-inden-2-yl)cyclobutane-1-carboxamide?
The IUPAC name of 1-carbamothioyl-N-(2,3-dihydro-1H-inden-2-yl)cyclobutane-1-carboxamide (CID 107854441) is 1-carbamothioyl-N-(2,3-dihydro-1H-inden-2-yl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-carbamothioyl-N-(2,3-dihydro-1H-inden-2-yl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-carbamothioyl-N-(2,3-dihydro-1H-inden-2-yl)cyclobutane-1-carboxamide is NC(=S)C1(C(=O)NC2Cc3ccccc3C2)CCC1.
What is the InChIKey of 1-carbamothioyl-N-(2,3-dihydro-1H-inden-2-yl)cyclobutane-1-carboxamide?
The InChIKey is TXNFUXXRBDJLQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c16-13(19)15(6-3-7-15)14(18)17-12-8-10-4-1-2-5-11(10)9-12/h1-2,4-5,12H,3,6-9H2,(H2,16,19)(H,17,18).
What are the key properties of 1-carbamothioyl-N-(2,3-dihydro-1H-inden-2-yl)cyclobutane-1-carboxamide?
1-carbamothioyl-N-(2,3-dihydro-1H-inden-2-yl)cyclobutane-1-carboxamide has a molecular weight of 274.39 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamothioyl-N-(2,3-dihydro-1H-inden-2-yl)cyclobutane-1-carboxamide is sourced from PubChem (CID 107854441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).