N-[3-(2,3-dihydroindol-1-yl)propyl]-5-methylthiolan-3-amine

C16H24N2S — CID 79942253

IUPACN-[3-(2,3-dihydroindol-1-yl)propyl]-5-methylthiolan-3-amine
SMILESCC1CC(NCCCN2CCc3ccccc32)CS1
InChIInChI=1S/C16H24N2S/c1-13-11-15(12-19-13)17-8-4-9-18-10-7-14-5-2-3-6-16(14)18/h2-3,5-6,13,15,17H,4,7-12H2,1H3
InChIKeyXOEGKORCCJDUOK-UHFFFAOYSA-N
MW276.45 g/mol
LogP2.92
Rot. Bonds5

About N-[3-(2,3-dihydroindol-1-yl)propyl]-5-methylthiolan-3-amine

N-[3-(2,3-dihydroindol-1-yl)propyl]-5-methylthiolan-3-amine (PubChem CID 79942253) has the molecular formula C16H24N2S and a molecular weight of 276.45 g/mol. Its IUPAC name is N-[3-(2,3-dihydroindol-1-yl)propyl]-5-methylthiolan-3-amine.

Molecular Properties

Compound NameN-[3-(2,3-dihydroindol-1-yl)propyl]-5-methylthiolan-3-amine
PubChem CID79942253
Molecular FormulaC16H24N2S
Molecular Weight276.45 g/mol
Exact Mass276.17
IUPAC NameN-[3-(2,3-dihydroindol-1-yl)propyl]-5-methylthiolan-3-amine
SMILESCC1CC(NCCCN2CCc3ccccc32)CS1
InChIInChI=1S/C16H24N2S/c1-13-11-15(12-19-13)17-8-4-9-18-10-7-14-5-2-3-6-16(14)18/h2-3,5-6,13,15,17H,4,7-12H2,1H3
InChIKeyXOEGKORCCJDUOK-UHFFFAOYSA-N
XLogP2.92
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2,3-dihydroindol-1-yl)propyl]cyclopropanamine
CID 60867490
N-[3-(2,3-dihydroindol-1-yl)propyl]piperidin-4-amine
CID 54902685
N-[3-(2,3-dihydroindol-1-yl)propyl]-4,4-dimethylthian-3-amine
CID 79954468
N-[2-(2,3-dihydroindol-1-yl)ethyl]cyclopentanamine
CID 55024431
N-[5-(3,4-dihydro-2H-quinolin-1-yl)pentyl]cyclopropanamine
CID 55069946
1-butyl-2,3-dihydroindole
CID 4167209
N-[3-(2,3-dihydroindol-1-yl)propyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105363806
N-[3-(2,3-dihydroindol-1-yl)propyl]formamide
CID 64990492
3-(2,3-dihydroindol-1-yl)-N-(2-methoxyethyl)propan-1-amine
CID 62569832
1-(3-pyrrolidin-1-ylpropyl)-2,3-dihydroindole
CID 82081939
N-[3-(2,3-dihydroindol-1-yl)propyl]heptan-4-amine
CID 43111286
2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-methylpropanamide
CID 61264292

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,3-dihydroindol-1-yl)propyl]-5-methylthiolan-3-amine?
The IUPAC name of N-[3-(2,3-dihydroindol-1-yl)propyl]-5-methylthiolan-3-amine (CID 79942253) is N-[3-(2,3-dihydroindol-1-yl)propyl]-5-methylthiolan-3-amine.
What is the SMILES notation for N-[3-(2,3-dihydroindol-1-yl)propyl]-5-methylthiolan-3-amine?
The canonical SMILES for N-[3-(2,3-dihydroindol-1-yl)propyl]-5-methylthiolan-3-amine is CC1CC(NCCCN2CCc3ccccc32)CS1.
What is the InChIKey of N-[3-(2,3-dihydroindol-1-yl)propyl]-5-methylthiolan-3-amine?
The InChIKey is XOEGKORCCJDUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2S/c1-13-11-15(12-19-13)17-8-4-9-18-10-7-14-5-2-3-6-16(14)18/h2-3,5-6,13,15,17H,4,7-12H2,1H3.
What are the key properties of N-[3-(2,3-dihydroindol-1-yl)propyl]-5-methylthiolan-3-amine?
N-[3-(2,3-dihydroindol-1-yl)propyl]-5-methylthiolan-3-amine has a molecular weight of 276.45 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,3-dihydroindol-1-yl)propyl]-5-methylthiolan-3-amine is sourced from PubChem (CID 79942253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).