1-(cyclopropylmethyl)-4-methylsulfanylindol-6-amine

C13H16N2S — CID 78925697

IUPAC1-(cyclopropylmethyl)-4-methylsulfanylindol-6-amine
SMILESCSc1cc(N)cc2c1ccn2CC1CC1
InChIInChI=1S/C13H16N2S/c1-16-13-7-10(14)6-12-11(13)4-5-15(12)8-9-2-3-9/h4-7,9H,2-3,8,14H2,1H3
InChIKeyBJZNQJUGKCQVLE-UHFFFAOYSA-N
MW232.35 g/mol
LogP3.36
Rot. Bonds3

About 1-(cyclopropylmethyl)-4-methylsulfanylindol-6-amine

1-(cyclopropylmethyl)-4-methylsulfanylindol-6-amine (PubChem CID 78925697) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-4-methylsulfanylindol-6-amine.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-4-methylsulfanylindol-6-amine
PubChem CID78925697
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC Name1-(cyclopropylmethyl)-4-methylsulfanylindol-6-amine
SMILESCSc1cc(N)cc2c1ccn2CC1CC1
InChIInChI=1S/C13H16N2S/c1-16-13-7-10(14)6-12-11(13)4-5-15(12)8-9-2-3-9/h4-7,9H,2-3,8,14H2,1H3
InChIKeyBJZNQJUGKCQVLE-UHFFFAOYSA-N
XLogP3.36
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-4-methylsulfanylindol-6-amine?
The IUPAC name of 1-(cyclopropylmethyl)-4-methylsulfanylindol-6-amine (CID 78925697) is 1-(cyclopropylmethyl)-4-methylsulfanylindol-6-amine.
What is the SMILES notation for 1-(cyclopropylmethyl)-4-methylsulfanylindol-6-amine?
The canonical SMILES for 1-(cyclopropylmethyl)-4-methylsulfanylindol-6-amine is CSc1cc(N)cc2c1ccn2CC1CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-4-methylsulfanylindol-6-amine?
The InChIKey is BJZNQJUGKCQVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c1-16-13-7-10(14)6-12-11(13)4-5-15(12)8-9-2-3-9/h4-7,9H,2-3,8,14H2,1H3.
What are the key properties of 1-(cyclopropylmethyl)-4-methylsulfanylindol-6-amine?
1-(cyclopropylmethyl)-4-methylsulfanylindol-6-amine has a molecular weight of 232.35 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-4-methylsulfanylindol-6-amine is sourced from PubChem (CID 78925697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).