N-(3-indol-1-ylpropyl)-2-methylthiolan-3-amine

C16H22N2S — CID 102671461

IUPACN-(3-indol-1-ylpropyl)-2-methylthiolan-3-amine
SMILESCC1SCCC1NCCCn1ccc2ccccc21
InChIInChI=1S/C16H22N2S/c1-13-15(8-12-19-13)17-9-4-10-18-11-7-14-5-2-3-6-16(14)18/h2-3,5-7,11,13,15,17H,4,8-10,12H2,1H3
InChIKeyVGMADYFEHVIFJK-UHFFFAOYSA-N
MW274.43 g/mol
LogP3.52
Rot. Bonds5

About N-(3-indol-1-ylpropyl)-2-methylthiolan-3-amine

N-(3-indol-1-ylpropyl)-2-methylthiolan-3-amine (PubChem CID 102671461) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is N-(3-indol-1-ylpropyl)-2-methylthiolan-3-amine.

Molecular Properties

Compound NameN-(3-indol-1-ylpropyl)-2-methylthiolan-3-amine
PubChem CID102671461
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC NameN-(3-indol-1-ylpropyl)-2-methylthiolan-3-amine
SMILESCC1SCCC1NCCCn1ccc2ccccc21
InChIInChI=1S/C16H22N2S/c1-13-15(8-12-19-13)17-9-4-10-18-11-7-14-5-2-3-6-16(14)18/h2-3,5-7,11,13,15,17H,4,8-10,12H2,1H3
InChIKeyVGMADYFEHVIFJK-UHFFFAOYSA-N
XLogP3.52
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 53.52
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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Frequently Asked Questions

What is the IUPAC name of N-(3-indol-1-ylpropyl)-2-methylthiolan-3-amine?
The IUPAC name of N-(3-indol-1-ylpropyl)-2-methylthiolan-3-amine (CID 102671461) is N-(3-indol-1-ylpropyl)-2-methylthiolan-3-amine.
What is the SMILES notation for N-(3-indol-1-ylpropyl)-2-methylthiolan-3-amine?
The canonical SMILES for N-(3-indol-1-ylpropyl)-2-methylthiolan-3-amine is CC1SCCC1NCCCn1ccc2ccccc21.
What is the InChIKey of N-(3-indol-1-ylpropyl)-2-methylthiolan-3-amine?
The InChIKey is VGMADYFEHVIFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c1-13-15(8-12-19-13)17-9-4-10-18-11-7-14-5-2-3-6-16(14)18/h2-3,5-7,11,13,15,17H,4,8-10,12H2,1H3.
What are the key properties of N-(3-indol-1-ylpropyl)-2-methylthiolan-3-amine?
N-(3-indol-1-ylpropyl)-2-methylthiolan-3-amine has a molecular weight of 274.43 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-indol-1-ylpropyl)-2-methylthiolan-3-amine is sourced from PubChem (CID 102671461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).