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

C15H20N2S — CID 19686716

IUPACN-cyclopentyl-2-methyl-2,3-dihydroindole-1-carbothioamide
SMILESCC1Cc2ccccc2N1C(=S)NC1CCCC1
InChIInChI=1S/C15H20N2S/c1-11-10-12-6-2-5-9-14(12)17(11)15(18)16-13-7-3-4-8-13/h2,5-6,9,11,13H,3-4,7-8,10H2,1H3,(H,16,18)
InChIKeyXCERKRJAUNOPEE-UHFFFAOYSA-N
MW260.41 g/mol
LogP3.25
Rot. Bonds1

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

N-cyclopentyl-2-methyl-2,3-dihydroindole-1-carbothioamide (PubChem CID 19686716) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is N-cyclopentyl-2-methyl-2,3-dihydroindole-1-carbothioamide.

Molecular Properties

Compound NameN-cyclopentyl-2-methyl-2,3-dihydroindole-1-carbothioamide
PubChem CID19686716
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC NameN-cyclopentyl-2-methyl-2,3-dihydroindole-1-carbothioamide
SMILESCC1Cc2ccccc2N1C(=S)NC1CCCC1
InChIInChI=1S/C15H20N2S/c1-11-10-12-6-2-5-9-14(12)17(11)15(18)16-13-7-3-4-8-13/h2,5-6,9,11,13H,3-4,7-8,10H2,1H3,(H,16,18)
InChIKeyXCERKRJAUNOPEE-UHFFFAOYSA-N
XLogP3.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-cyclopentyl-2-methyl-2,3-dihydroindole-1-carbothioamide?
The IUPAC name of N-cyclopentyl-2-methyl-2,3-dihydroindole-1-carbothioamide (CID 19686716) is N-cyclopentyl-2-methyl-2,3-dihydroindole-1-carbothioamide.
What is the SMILES notation for N-cyclopentyl-2-methyl-2,3-dihydroindole-1-carbothioamide?
The canonical SMILES for N-cyclopentyl-2-methyl-2,3-dihydroindole-1-carbothioamide is CC1Cc2ccccc2N1C(=S)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-methyl-2,3-dihydroindole-1-carbothioamide?
The InChIKey is XCERKRJAUNOPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-11-10-12-6-2-5-9-14(12)17(11)15(18)16-13-7-3-4-8-13/h2,5-6,9,11,13H,3-4,7-8,10H2,1H3,(H,16,18).
What are the key properties of N-cyclopentyl-2-methyl-2,3-dihydroindole-1-carbothioamide?
N-cyclopentyl-2-methyl-2,3-dihydroindole-1-carbothioamide has a molecular weight of 260.41 g/mol, XLogP of 3.25, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-methyl-2,3-dihydroindole-1-carbothioamide is sourced from PubChem (CID 19686716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).