4-ethylsulfanyl-1-[(6-methyl-2-pyridinyl)methyl]indol-6-amine

C17H19N3S — CID 79262899

IUPAC4-ethylsulfanyl-1-[(6-methyl-2-pyridinyl)methyl]indol-6-amine
SMILESCCSc1cc(N)cc2c1ccn2Cc1cccc(C)n1
InChIInChI=1S/C17H19N3S/c1-3-21-17-10-13(18)9-16-15(17)7-8-20(16)11-14-6-4-5-12(2)19-14/h4-10H,3,11,18H2,1-2H3
InChIKeyCTOJHFGKSBBNBM-UHFFFAOYSA-N
MW297.43 g/mol
LogP4.09
Rot. Bonds4

About 4-ethylsulfanyl-1-[(6-methyl-2-pyridinyl)methyl]indol-6-amine

4-ethylsulfanyl-1-[(6-methyl-2-pyridinyl)methyl]indol-6-amine (PubChem CID 79262899) has the molecular formula C17H19N3S and a molecular weight of 297.43 g/mol. Its IUPAC name is 4-ethylsulfanyl-1-[(6-methyl-2-pyridinyl)methyl]indol-6-amine.

Molecular Properties

Compound Name4-ethylsulfanyl-1-[(6-methyl-2-pyridinyl)methyl]indol-6-amine
PubChem CID79262899
Molecular FormulaC17H19N3S
Molecular Weight297.43 g/mol
Exact Mass297.13
IUPAC Name4-ethylsulfanyl-1-[(6-methyl-2-pyridinyl)methyl]indol-6-amine
SMILESCCSc1cc(N)cc2c1ccn2Cc1cccc(C)n1
InChIInChI=1S/C17H19N3S/c1-3-21-17-10-13(18)9-16-15(17)7-8-20(16)11-14-6-4-5-12(2)19-14/h4-10H,3,11,18H2,1-2H3
InChIKeyCTOJHFGKSBBNBM-UHFFFAOYSA-N
XLogP4.09
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.43
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfanyl-1-[(6-methyl-2-pyridinyl)methyl]indol-6-amine?
The IUPAC name of 4-ethylsulfanyl-1-[(6-methyl-2-pyridinyl)methyl]indol-6-amine (CID 79262899) is 4-ethylsulfanyl-1-[(6-methyl-2-pyridinyl)methyl]indol-6-amine.
What is the SMILES notation for 4-ethylsulfanyl-1-[(6-methyl-2-pyridinyl)methyl]indol-6-amine?
The canonical SMILES for 4-ethylsulfanyl-1-[(6-methyl-2-pyridinyl)methyl]indol-6-amine is CCSc1cc(N)cc2c1ccn2Cc1cccc(C)n1.
What is the InChIKey of 4-ethylsulfanyl-1-[(6-methyl-2-pyridinyl)methyl]indol-6-amine?
The InChIKey is CTOJHFGKSBBNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3S/c1-3-21-17-10-13(18)9-16-15(17)7-8-20(16)11-14-6-4-5-12(2)19-14/h4-10H,3,11,18H2,1-2H3.
What are the key properties of 4-ethylsulfanyl-1-[(6-methyl-2-pyridinyl)methyl]indol-6-amine?
4-ethylsulfanyl-1-[(6-methyl-2-pyridinyl)methyl]indol-6-amine has a molecular weight of 297.43 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfanyl-1-[(6-methyl-2-pyridinyl)methyl]indol-6-amine is sourced from PubChem (CID 79262899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).