N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-1-methylsulfanylpropan-2-amine

C15H22N2S — CID 45185667

IUPACN-[(2,3-dimethyl-1H-indol-5-yl)methyl]-1-methylsulfanylpropan-2-amine
SMILESCSCC(C)NCc1ccc2[nH]c(C)c(C)c2c1
InChIInChI=1S/C15H22N2S/c1-10(9-18-4)16-8-13-5-6-15-14(7-13)11(2)12(3)17-15/h5-7,10,16-17H,8-9H2,1-4H3
InChIKeyUDCRNHAELDETHY-UHFFFAOYSA-N
MW262.42 g/mol
LogP3.63
Rot. Bonds5

About N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-1-methylsulfanylpropan-2-amine

N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-1-methylsulfanylpropan-2-amine (PubChem CID 45185667) has the molecular formula C15H22N2S and a molecular weight of 262.42 g/mol. Its IUPAC name is N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-1-methylsulfanylpropan-2-amine.

Molecular Properties

Compound NameN-[(2,3-dimethyl-1H-indol-5-yl)methyl]-1-methylsulfanylpropan-2-amine
PubChem CID45185667
Molecular FormulaC15H22N2S
Molecular Weight262.42 g/mol
Exact Mass262.15
IUPAC NameN-[(2,3-dimethyl-1H-indol-5-yl)methyl]-1-methylsulfanylpropan-2-amine
SMILESCSCC(C)NCc1ccc2[nH]c(C)c(C)c2c1
InChIInChI=1S/C15H22N2S/c1-10(9-18-4)16-8-13-5-6-15-14(7-13)11(2)12(3)17-15/h5-7,10,16-17H,8-9H2,1-4H3
InChIKeyUDCRNHAELDETHY-UHFFFAOYSA-N
XLogP3.63
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-1-methylsulfanylpropan-2-amine?
The IUPAC name of N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-1-methylsulfanylpropan-2-amine (CID 45185667) is N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-1-methylsulfanylpropan-2-amine.
What is the SMILES notation for N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-1-methylsulfanylpropan-2-amine?
The canonical SMILES for N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-1-methylsulfanylpropan-2-amine is CSCC(C)NCc1ccc2[nH]c(C)c(C)c2c1.
What is the InChIKey of N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-1-methylsulfanylpropan-2-amine?
The InChIKey is UDCRNHAELDETHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2S/c1-10(9-18-4)16-8-13-5-6-15-14(7-13)11(2)12(3)17-15/h5-7,10,16-17H,8-9H2,1-4H3.
What are the key properties of N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-1-methylsulfanylpropan-2-amine?
N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-1-methylsulfanylpropan-2-amine has a molecular weight of 262.42 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-1-methylsulfanylpropan-2-amine is sourced from PubChem (CID 45185667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).