N-(1H-indol-5-ylmethyl)-2-methylsulfanylpropan-1-amine

C13H18N2S — CID 102911932

IUPACN-(1H-indol-5-ylmethyl)-2-methylsulfanylpropan-1-amine
SMILESCSC(C)CNCc1ccc2[nH]ccc2c1
InChIInChI=1S/C13H18N2S/c1-10(16-2)8-14-9-11-3-4-13-12(7-11)5-6-15-13/h3-7,10,14-15H,8-9H2,1-2H3
InChIKeyQBBQQYOHIZRYBD-UHFFFAOYSA-N
MW234.37 g/mol
LogP3.01
Rot. Bonds5

About N-(1H-indol-5-ylmethyl)-2-methylsulfanylpropan-1-amine

N-(1H-indol-5-ylmethyl)-2-methylsulfanylpropan-1-amine (PubChem CID 102911932) has the molecular formula C13H18N2S and a molecular weight of 234.37 g/mol. Its IUPAC name is N-(1H-indol-5-ylmethyl)-2-methylsulfanylpropan-1-amine.

Molecular Properties

Compound NameN-(1H-indol-5-ylmethyl)-2-methylsulfanylpropan-1-amine
PubChem CID102911932
Molecular FormulaC13H18N2S
Molecular Weight234.37 g/mol
Exact Mass234.12
IUPAC NameN-(1H-indol-5-ylmethyl)-2-methylsulfanylpropan-1-amine
SMILESCSC(C)CNCc1ccc2[nH]ccc2c1
InChIInChI=1S/C13H18N2S/c1-10(16-2)8-14-9-11-3-4-13-12(7-11)5-6-15-13/h3-7,10,14-15H,8-9H2,1-2H3
InChIKeyQBBQQYOHIZRYBD-UHFFFAOYSA-N
XLogP3.01
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.37
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(1H-indol-5-ylmethyl)-2-methylsulfanylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethoxy-N-(1H-indol-5-ylmethyl)propan-1-amine
CID 102911958
N-(1H-indol-5-ylmethyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 102910856
N-(1H-indol-5-ylmethyl)-2-propan-2-yloxyethanamine
CID 102911874
N-(1H-indol-5-ylmethyl)but-2-yn-1-amine
CID 102911910
N-(1H-indol-5-ylmethyl)-2-(2-methylpropoxy)ethanamine
CID 102912150
N-(1H-indol-5-ylmethyl)prop-2-en-1-amine
CID 53274484
N-(1H-indol-5-ylmethyl)-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 102911394
methyl 4-[(1H-indol-5-ylmethylamino)methyl]benzoate
CID 118070071
4-[(1H-indol-5-ylmethylamino)methyl]benzaldehyde
CID 178072305
1-(1H-indol-5-yl)-N-[(1-methylcyclobutyl)methyl]methanamine
CID 114107229
N-[(3-fluorophenyl)methyl]-2-methylsulfanylpropan-1-amine
CID 115757618
1-(dimethylamino)-3-(1H-indol-5-ylmethylamino)-2-methylpropan-2-ol
CID 106145243

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-5-ylmethyl)-2-methylsulfanylpropan-1-amine?
The IUPAC name of N-(1H-indol-5-ylmethyl)-2-methylsulfanylpropan-1-amine (CID 102911932) is N-(1H-indol-5-ylmethyl)-2-methylsulfanylpropan-1-amine.
What is the SMILES notation for N-(1H-indol-5-ylmethyl)-2-methylsulfanylpropan-1-amine?
The canonical SMILES for N-(1H-indol-5-ylmethyl)-2-methylsulfanylpropan-1-amine is CSC(C)CNCc1ccc2[nH]ccc2c1.
What is the InChIKey of N-(1H-indol-5-ylmethyl)-2-methylsulfanylpropan-1-amine?
The InChIKey is QBBQQYOHIZRYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2S/c1-10(16-2)8-14-9-11-3-4-13-12(7-11)5-6-15-13/h3-7,10,14-15H,8-9H2,1-2H3.
What are the key properties of N-(1H-indol-5-ylmethyl)-2-methylsulfanylpropan-1-amine?
N-(1H-indol-5-ylmethyl)-2-methylsulfanylpropan-1-amine has a molecular weight of 234.37 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-5-ylmethyl)-2-methylsulfanylpropan-1-amine is sourced from PubChem (CID 102911932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).