N-cyclopentyl-2,3-dihydroindole-1-carbothioamide

C14H18N2S — CID 19686662

IUPACN-cyclopentyl-2,3-dihydroindole-1-carbothioamide
SMILESS=C(NC1CCCC1)N1CCc2ccccc21
InChIInChI=1S/C14H18N2S/c17-14(15-12-6-2-3-7-12)16-10-9-11-5-1-4-8-13(11)16/h1,4-5,8,12H,2-3,6-7,9-10H2,(H,15,17)
InChIKeyXGRNAMLRIBJTFS-UHFFFAOYSA-N
MW246.38 g/mol
LogP2.87
Rot. Bonds1

About N-cyclopentyl-2,3-dihydroindole-1-carbothioamide

N-cyclopentyl-2,3-dihydroindole-1-carbothioamide (PubChem CID 19686662) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is N-cyclopentyl-2,3-dihydroindole-1-carbothioamide.

Molecular Properties

Compound NameN-cyclopentyl-2,3-dihydroindole-1-carbothioamide
PubChem CID19686662
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC NameN-cyclopentyl-2,3-dihydroindole-1-carbothioamide
SMILESS=C(NC1CCCC1)N1CCc2ccccc21
InChIInChI=1S/C14H18N2S/c17-14(15-12-6-2-3-7-12)16-10-9-11-5-1-4-8-13(11)16/h1,4-5,8,12H,2-3,6-7,9-10H2,(H,15,17)
InChIKeyXGRNAMLRIBJTFS-UHFFFAOYSA-N
XLogP2.87
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopentyl-4-methyl-2,3-dihydroquinoxaline-1-carbothioamide
CID 116508696
N-cyclohexyl-3-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide
CID 116508561
N-cyclopentyl-3,4-dihydro-2H-1,5-benzoxazepine-5-carbothioamide
CID 116509884
N-cycloheptyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 69221349
N-cyclopropyl-4-methyl-2,3-dihydroquinoxaline-1-carbothioamide
CID 116508695
1-cyclohexyl-3-[(2S)-1-(2,3-dihydroindol-1-yl)-3-methyl-1-oxobutan-2-yl]urea
CID 92881427
N-cyclopentyl-3-[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]propanamide
CID 110983412
N-cyclohexyl-2-[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]acetamide
CID 110984132
N-cyclopropyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 113225655
N-(2-methylpropyl)-2,3-dihydroindole-1-carbothioamide
CID 19686661
[(1R,6R)-7-bicyclo[4.1.0]heptanyl]-(2,3-dihydroindol-1-yl)methanone
CID 124554087
1-cyclohexyl-3-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxo-3-phenylpropan-2-yl]urea
CID 92881765

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2,3-dihydroindole-1-carbothioamide?
The IUPAC name of N-cyclopentyl-2,3-dihydroindole-1-carbothioamide (CID 19686662) is N-cyclopentyl-2,3-dihydroindole-1-carbothioamide.
What is the SMILES notation for N-cyclopentyl-2,3-dihydroindole-1-carbothioamide?
The canonical SMILES for N-cyclopentyl-2,3-dihydroindole-1-carbothioamide is S=C(NC1CCCC1)N1CCc2ccccc21.
What is the InChIKey of N-cyclopentyl-2,3-dihydroindole-1-carbothioamide?
The InChIKey is XGRNAMLRIBJTFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c17-14(15-12-6-2-3-7-12)16-10-9-11-5-1-4-8-13(11)16/h1,4-5,8,12H,2-3,6-7,9-10H2,(H,15,17).
What are the key properties of N-cyclopentyl-2,3-dihydroindole-1-carbothioamide?
N-cyclopentyl-2,3-dihydroindole-1-carbothioamide has a molecular weight of 246.38 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2,3-dihydroindole-1-carbothioamide is sourced from PubChem (CID 19686662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).