1-(3-fluoropropyl)-4-methylsulfanylindol-6-amine

C12H15FN2S — CID 81106712

IUPAC1-(3-fluoropropyl)-4-methylsulfanylindol-6-amine
SMILESCSc1cc(N)cc2c1ccn2CCCF
InChIInChI=1S/C12H15FN2S/c1-16-12-8-9(14)7-11-10(12)3-6-15(11)5-2-4-13/h3,6-8H,2,4-5,14H2,1H3
InChIKeyGIHQFJUCQKBGHU-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.31
Rot. Bonds4

About 1-(3-fluoropropyl)-4-methylsulfanylindol-6-amine

1-(3-fluoropropyl)-4-methylsulfanylindol-6-amine (PubChem CID 81106712) has the molecular formula C12H15FN2S and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-(3-fluoropropyl)-4-methylsulfanylindol-6-amine.

Molecular Properties

Compound Name1-(3-fluoropropyl)-4-methylsulfanylindol-6-amine
PubChem CID81106712
Molecular FormulaC12H15FN2S
Molecular Weight238.33 g/mol
Exact Mass238.09
IUPAC Name1-(3-fluoropropyl)-4-methylsulfanylindol-6-amine
SMILESCSc1cc(N)cc2c1ccn2CCCF
InChIInChI=1S/C12H15FN2S/c1-16-12-8-9(14)7-11-10(12)3-6-15(11)5-2-4-13/h3,6-8H,2,4-5,14H2,1H3
InChIKeyGIHQFJUCQKBGHU-UHFFFAOYSA-N
XLogP3.31
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-Methyl-3-thiocyanatoindole
CID 10921283
1H-Indole, 3-(ethenylthio)-
CID 51080
2-(1H-Indol-3-ylsulfanyl)-ethylamine
CID 2049518
4-Methylthiodimethyltryptamine
CID 193459
2-((1-propyl-1H-indol-3-yl)thio)acetamide
CID 2046611
2-(1-Methylindol-3-yl)sulfanylacetamide
CID 4433539
(1-Phenylindol-3-yl) thiocyanate
CID 101912977
N'-[1-[4-(dimethylamino)butyl]indol-6-yl]thiophene-2-carboximidamide
CID 15950434
N'-[1-[3-(diethylamino)propyl]indol-6-yl]thiophene-2-carboximidamide
CID 15950438
1H-Indole, 3-(ethenylthio)-1-ethyl-
CID 51079
3-(Ethylthio)-1H-indole
CID 200278
2-((1-ethyl-1H-indol-3-yl)thio)acetamide
CID 4462601

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoropropyl)-4-methylsulfanylindol-6-amine?
The IUPAC name of 1-(3-fluoropropyl)-4-methylsulfanylindol-6-amine (CID 81106712) is 1-(3-fluoropropyl)-4-methylsulfanylindol-6-amine.
What is the SMILES notation for 1-(3-fluoropropyl)-4-methylsulfanylindol-6-amine?
The canonical SMILES for 1-(3-fluoropropyl)-4-methylsulfanylindol-6-amine is CSc1cc(N)cc2c1ccn2CCCF.
What is the InChIKey of 1-(3-fluoropropyl)-4-methylsulfanylindol-6-amine?
The InChIKey is GIHQFJUCQKBGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2S/c1-16-12-8-9(14)7-11-10(12)3-6-15(11)5-2-4-13/h3,6-8H,2,4-5,14H2,1H3.
What are the key properties of 1-(3-fluoropropyl)-4-methylsulfanylindol-6-amine?
1-(3-fluoropropyl)-4-methylsulfanylindol-6-amine has a molecular weight of 238.33 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropropyl)-4-methylsulfanylindol-6-amine is sourced from PubChem (CID 81106712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).