1-methyl-3-[(3-methylphenyl)methylsulfanyl]indole

C17H17NS — CID 43949269

IUPAC1-methyl-3-[(3-methylphenyl)methylsulfanyl]indole
SMILESCc1cccc(CSc2cn(C)c3ccccc23)c1
InChIInChI=1S/C17H17NS/c1-13-6-5-7-14(10-13)12-19-17-11-18(2)16-9-4-3-8-15(16)17/h3-11H,12H2,1-2H3
InChIKeyIPKQCKCUMDHNOZ-UHFFFAOYSA-N
MW267.40 g/mol
LogP4.78
Rot. Bonds3

About 1-methyl-3-[(3-methylphenyl)methylsulfanyl]indole

1-methyl-3-[(3-methylphenyl)methylsulfanyl]indole (PubChem CID 43949269) has the molecular formula C17H17NS and a molecular weight of 267.40 g/mol. Its IUPAC name is 1-methyl-3-[(3-methylphenyl)methylsulfanyl]indole.

Molecular Properties

Compound Name1-methyl-3-[(3-methylphenyl)methylsulfanyl]indole
PubChem CID43949269
Molecular FormulaC17H17NS
Molecular Weight267.40 g/mol
Exact Mass267.11
IUPAC Name1-methyl-3-[(3-methylphenyl)methylsulfanyl]indole
SMILESCc1cccc(CSc2cn(C)c3ccccc23)c1
InChIInChI=1S/C17H17NS/c1-13-6-5-7-14(10-13)12-19-17-11-18(2)16-9-4-3-8-15(16)17/h3-11H,12H2,1-2H3
InChIKeyIPKQCKCUMDHNOZ-UHFFFAOYSA-N
XLogP4.78
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[3-[(3-methylphenyl)methylsulfanyl]indol-1-yl]ethanone
CID 8543916
1-[(3-fluorophenyl)methyl]-3-[(3-fluorophenyl)methylsulfanyl]indole
CID 5077989
3-benzhydrylsulfanyl-1-[(3-methylphenyl)methyl]indole
CID 43949235
N-benzyl-3-(1-methylindol-3-yl)-3-(3-methylphenyl)propanamide
CID 3336280
N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-1-(3-methylphenyl)methanesulfonamide
CID 90535158
3-(1-methylindol-3-yl)-3-(3-methylphenyl)propanoic acid
CID 3542496
2-[(3-methylphenyl)methylsulfanyl]-1-propan-2-ylbenzimidazole
CID 10827803
4-methyl-3-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazole
CID 6465462
methane;9-[(3-methylphenyl)methyl]carbazole
CID 159308792
4-[(3-methylphenyl)methylsulfanyl]quinolin-3-amine
CID 103963903
2-methyl-4-[(3-methylphenyl)methylsulfanyl]quinazoline
CID 112774837
[4-bromo-2-[(3-methylphenyl)methylsulfanyl]phenyl]methanol
CID 63835874

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(3-methylphenyl)methylsulfanyl]indole?
The IUPAC name of 1-methyl-3-[(3-methylphenyl)methylsulfanyl]indole (CID 43949269) is 1-methyl-3-[(3-methylphenyl)methylsulfanyl]indole.
What is the SMILES notation for 1-methyl-3-[(3-methylphenyl)methylsulfanyl]indole?
The canonical SMILES for 1-methyl-3-[(3-methylphenyl)methylsulfanyl]indole is Cc1cccc(CSc2cn(C)c3ccccc23)c1.
What is the InChIKey of 1-methyl-3-[(3-methylphenyl)methylsulfanyl]indole?
The InChIKey is IPKQCKCUMDHNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NS/c1-13-6-5-7-14(10-13)12-19-17-11-18(2)16-9-4-3-8-15(16)17/h3-11H,12H2,1-2H3.
What are the key properties of 1-methyl-3-[(3-methylphenyl)methylsulfanyl]indole?
1-methyl-3-[(3-methylphenyl)methylsulfanyl]indole has a molecular weight of 267.40 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(3-methylphenyl)methylsulfanyl]indole is sourced from PubChem (CID 43949269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).