1-methyl-3-[(S)-phenyl(thiophen-2-yl)methyl]indole

C20H17NS — CID 92720063

IUPAC1-methyl-3-[(S)-phenyl(thiophen-2-yl)methyl]indole
SMILESCn1cc([C@H](c2ccccc2)c2cccs2)c2ccccc21
InChIInChI=1S/C20H17NS/c1-21-14-17(16-10-5-6-11-18(16)21)20(19-12-7-13-22-19)15-8-3-2-4-9-15/h2-14,20H,1H3/t20-/m0/s1
InChIKeyGBJBKGGSQLNQJS-FQEVSTJZSA-N
MW303.43 g/mol
LogP5.42
Rot. Bonds3

About 1-methyl-3-[(S)-phenyl(thiophen-2-yl)methyl]indole

1-methyl-3-[(S)-phenyl(thiophen-2-yl)methyl]indole (PubChem CID 92720063) has the molecular formula C20H17NS and a molecular weight of 303.43 g/mol. Its IUPAC name is 1-methyl-3-[(S)-phenyl(thiophen-2-yl)methyl]indole.

Molecular Properties

Compound Name1-methyl-3-[(S)-phenyl(thiophen-2-yl)methyl]indole
PubChem CID92720063
Molecular FormulaC20H17NS
Molecular Weight303.43 g/mol
Exact Mass303.11
IUPAC Name1-methyl-3-[(S)-phenyl(thiophen-2-yl)methyl]indole
SMILESCn1cc([C@H](c2ccccc2)c2cccs2)c2ccccc21
InChIInChI=1S/C20H17NS/c1-21-14-17(16-10-5-6-11-18(16)21)20(19-12-7-13-22-19)15-8-3-2-4-9-15/h2-14,20H,1H3/t20-/m0/s1
InChIKeyGBJBKGGSQLNQJS-FQEVSTJZSA-N
XLogP5.42
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.43
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(S)-phenyl(thiophen-2-yl)methyl]indole?
The IUPAC name of 1-methyl-3-[(S)-phenyl(thiophen-2-yl)methyl]indole (CID 92720063) is 1-methyl-3-[(S)-phenyl(thiophen-2-yl)methyl]indole.
What is the SMILES notation for 1-methyl-3-[(S)-phenyl(thiophen-2-yl)methyl]indole?
The canonical SMILES for 1-methyl-3-[(S)-phenyl(thiophen-2-yl)methyl]indole is Cn1cc([C@H](c2ccccc2)c2cccs2)c2ccccc21.
What is the InChIKey of 1-methyl-3-[(S)-phenyl(thiophen-2-yl)methyl]indole?
The InChIKey is GBJBKGGSQLNQJS-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H17NS/c1-21-14-17(16-10-5-6-11-18(16)21)20(19-12-7-13-22-19)15-8-3-2-4-9-15/h2-14,20H,1H3/t20-/m0/s1.
What are the key properties of 1-methyl-3-[(S)-phenyl(thiophen-2-yl)methyl]indole?
1-methyl-3-[(S)-phenyl(thiophen-2-yl)methyl]indole has a molecular weight of 303.43 g/mol, XLogP of 5.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(S)-phenyl(thiophen-2-yl)methyl]indole is sourced from PubChem (CID 92720063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).