3-(propan-2-ylsulfanylmethyl)-1H-indol-7-amine

C12H16N2S — CID 117182017

IUPAC3-(propan-2-ylsulfanylmethyl)-1H-indol-7-amine
SMILESCC(C)SCc1c[nH]c2c(N)cccc12
InChIInChI=1S/C12H16N2S/c1-8(2)15-7-9-6-14-12-10(9)4-3-5-11(12)13/h3-6,8,14H,7,13H2,1-2H3
InChIKeyRCUITJHFBUEXCY-UHFFFAOYSA-N
MW220.34 g/mol
LogP3.39
Rot. Bonds3

About 3-(propan-2-ylsulfanylmethyl)-1H-indol-7-amine

3-(propan-2-ylsulfanylmethyl)-1H-indol-7-amine (PubChem CID 117182017) has the molecular formula C12H16N2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 3-(propan-2-ylsulfanylmethyl)-1H-indol-7-amine.

Molecular Properties

Compound Name3-(propan-2-ylsulfanylmethyl)-1H-indol-7-amine
PubChem CID117182017
Molecular FormulaC12H16N2S
Molecular Weight220.34 g/mol
Exact Mass220.10
IUPAC Name3-(propan-2-ylsulfanylmethyl)-1H-indol-7-amine
SMILESCC(C)SCc1c[nH]c2c(N)cccc12
InChIInChI=1S/C12H16N2S/c1-8(2)15-7-9-6-14-12-10(9)4-3-5-11(12)13/h3-6,8,14H,7,13H2,1-2H3
InChIKeyRCUITJHFBUEXCY-UHFFFAOYSA-N
XLogP3.39
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(propan-2-ylsulfanylmethyl)-1H-indol-7-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(propan-2-ylsulfanylmethyl)-1H-indol-7-amine?
The IUPAC name of 3-(propan-2-ylsulfanylmethyl)-1H-indol-7-amine (CID 117182017) is 3-(propan-2-ylsulfanylmethyl)-1H-indol-7-amine.
What is the SMILES notation for 3-(propan-2-ylsulfanylmethyl)-1H-indol-7-amine?
The canonical SMILES for 3-(propan-2-ylsulfanylmethyl)-1H-indol-7-amine is CC(C)SCc1c[nH]c2c(N)cccc12.
What is the InChIKey of 3-(propan-2-ylsulfanylmethyl)-1H-indol-7-amine?
The InChIKey is RCUITJHFBUEXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S/c1-8(2)15-7-9-6-14-12-10(9)4-3-5-11(12)13/h3-6,8,14H,7,13H2,1-2H3.
What are the key properties of 3-(propan-2-ylsulfanylmethyl)-1H-indol-7-amine?
3-(propan-2-ylsulfanylmethyl)-1H-indol-7-amine has a molecular weight of 220.34 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propan-2-ylsulfanylmethyl)-1H-indol-7-amine is sourced from PubChem (CID 117182017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).