1-(4-methylsulfanyl-1H-indol-2-yl)propan-2-amine

C12H16N2S — CID 83917653

IUPAC1-(4-methylsulfanyl-1H-indol-2-yl)propan-2-amine
SMILESCSc1cccc2[nH]c(CC(C)N)cc12
InChIInChI=1S/C12H16N2S/c1-8(13)6-9-7-10-11(14-9)4-3-5-12(10)15-2/h3-5,7-8,14H,6,13H2,1-2H3
InChIKeyVODVSNIUHPCCIW-UHFFFAOYSA-N
MW220.34 g/mol
LogP2.78
Rot. Bonds3

About 1-(4-methylsulfanyl-1H-indol-2-yl)propan-2-amine

1-(4-methylsulfanyl-1H-indol-2-yl)propan-2-amine (PubChem CID 83917653) has the molecular formula C12H16N2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 1-(4-methylsulfanyl-1H-indol-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-(4-methylsulfanyl-1H-indol-2-yl)propan-2-amine
PubChem CID83917653
Molecular FormulaC12H16N2S
Molecular Weight220.34 g/mol
Exact Mass220.10
IUPAC Name1-(4-methylsulfanyl-1H-indol-2-yl)propan-2-amine
SMILESCSc1cccc2[nH]c(CC(C)N)cc12
InChIInChI=1S/C12H16N2S/c1-8(13)6-9-7-10-11(14-9)4-3-5-12(10)15-2/h3-5,7-8,14H,6,13H2,1-2H3
InChIKeyVODVSNIUHPCCIW-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methoxy-3-methylsulfanylphenyl)propan-2-amine
CID 117302169
1-(5-fluoro-1H-indol-2-yl)propan-2-amine
CID 10058400
2-(2-methylpropyl)-4-(trifluoromethyl)-1H-indole
CID 173055904
1-(6-methylsulfonyl-1H-indol-2-yl)propan-2-amine
CID 83919825
2-(4-methyl-1H-indol-2-yl)ethanamine
CID 28806674
4-fluoro-2-(propan-2-yloxymethyl)-1H-indole
CID 117173426
4-chloro-2-(methylsulfanylmethyl)-1H-indole
CID 117173429
2-(4-hydroxy-1H-indol-2-yl)acetamide
CID 139709684
λ2-plumbane;1-phenylpropan-2-amine
CID 174896483
1-(3-chloro-1H-indol-2-yl)propan-2-amine;hydrochloride
CID 170893856
1-(2,3-dimethyl-1H-indol-5-yl)propan-2-amine
CID 115006304
azane;1-phenylpropan-2-amine
CID 67350534

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylsulfanyl-1H-indol-2-yl)propan-2-amine?
The IUPAC name of 1-(4-methylsulfanyl-1H-indol-2-yl)propan-2-amine (CID 83917653) is 1-(4-methylsulfanyl-1H-indol-2-yl)propan-2-amine.
What is the SMILES notation for 1-(4-methylsulfanyl-1H-indol-2-yl)propan-2-amine?
The canonical SMILES for 1-(4-methylsulfanyl-1H-indol-2-yl)propan-2-amine is CSc1cccc2[nH]c(CC(C)N)cc12.
What is the InChIKey of 1-(4-methylsulfanyl-1H-indol-2-yl)propan-2-amine?
The InChIKey is VODVSNIUHPCCIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S/c1-8(13)6-9-7-10-11(14-9)4-3-5-12(10)15-2/h3-5,7-8,14H,6,13H2,1-2H3.
What are the key properties of 1-(4-methylsulfanyl-1H-indol-2-yl)propan-2-amine?
1-(4-methylsulfanyl-1H-indol-2-yl)propan-2-amine has a molecular weight of 220.34 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylsulfanyl-1H-indol-2-yl)propan-2-amine is sourced from PubChem (CID 83917653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).