5-tert-butyl-2-(5-methylthiophen-2-yl)-2,3-dihydro-1H-indole

C17H21NS — CID 3533032

IUPAC5-tert-butyl-2-(5-methylthiophen-2-yl)-2,3-dihydro-1H-indole
SMILESCc1ccc(C2Cc3cc(C(C)(C)C)ccc3N2)s1
InChIInChI=1S/C17H21NS/c1-11-5-8-16(19-11)15-10-12-9-13(17(2,3)4)6-7-14(12)18-15/h5-9,15,18H,10H2,1-4H3
InChIKeyAWJUFOMCGUUDJT-UHFFFAOYSA-N
MW271.43 g/mol
LogP5.06
Rot. Bonds1

About 5-tert-butyl-2-(5-methylthiophen-2-yl)-2,3-dihydro-1H-indole

5-tert-butyl-2-(5-methylthiophen-2-yl)-2,3-dihydro-1H-indole (PubChem CID 3533032) has the molecular formula C17H21NS and a molecular weight of 271.43 g/mol. Its IUPAC name is 5-tert-butyl-2-(5-methylthiophen-2-yl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name5-tert-butyl-2-(5-methylthiophen-2-yl)-2,3-dihydro-1H-indole
PubChem CID3533032
Molecular FormulaC17H21NS
Molecular Weight271.43 g/mol
Exact Mass271.14
IUPAC Name5-tert-butyl-2-(5-methylthiophen-2-yl)-2,3-dihydro-1H-indole
SMILESCc1ccc(C2Cc3cc(C(C)(C)C)ccc3N2)s1
InChIInChI=1S/C17H21NS/c1-11-5-8-16(19-11)15-10-12-9-13(17(2,3)4)6-7-14(12)18-15/h5-9,15,18H,10H2,1-4H3
InChIKeyAWJUFOMCGUUDJT-UHFFFAOYSA-N
XLogP5.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.43
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-methylthiophen-2-yl)-5-propan-2-yl-2,3-dihydro-1H-indole
CID 4000551
5-tert-butyl-2-(3,4-dimethylphenyl)-2,3-dihydro-1H-indole
CID 5037732
5-tert-butyl-2-(3-methylphenyl)-2,3-dihydro-1H-indole
CID 3872880
5-tert-butyl-2-(2,4-dimethylphenyl)-2,3-dihydro-1H-indole
CID 3879014
5-tert-butyl-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole
CID 4984250
5-tert-butyl-2-(4-propan-2-ylphenyl)-2,3-dihydro-1H-indole
CID 5176220
5-tert-butyl-2-(2,5-difluorophenyl)-2,3-dihydro-1H-indole
CID 3893012
(4aS,5R,10bS)-9-tert-butyl-5-(5-methylthiophen-2-yl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
CID 58956468
2-(4-tert-butylphenyl)-5-ethyl-2,3-dihydro-1H-indole
CID 5134941
6-tert-butyl-2,3-dihydro-1H-indol-2-ol
CID 146620775
3,6-ditert-butyl-1,2,3,4-tetrahydroquinoline
CID 63386279
1-(6-tert-butyl-1,2,3,4-tetrahydroquinolin-2-yl)-N,N-dimethylmethanamine
CID 84632624

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-(5-methylthiophen-2-yl)-2,3-dihydro-1H-indole?
The IUPAC name of 5-tert-butyl-2-(5-methylthiophen-2-yl)-2,3-dihydro-1H-indole (CID 3533032) is 5-tert-butyl-2-(5-methylthiophen-2-yl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 5-tert-butyl-2-(5-methylthiophen-2-yl)-2,3-dihydro-1H-indole?
The canonical SMILES for 5-tert-butyl-2-(5-methylthiophen-2-yl)-2,3-dihydro-1H-indole is Cc1ccc(C2Cc3cc(C(C)(C)C)ccc3N2)s1.
What is the InChIKey of 5-tert-butyl-2-(5-methylthiophen-2-yl)-2,3-dihydro-1H-indole?
The InChIKey is AWJUFOMCGUUDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NS/c1-11-5-8-16(19-11)15-10-12-9-13(17(2,3)4)6-7-14(12)18-15/h5-9,15,18H,10H2,1-4H3.
What are the key properties of 5-tert-butyl-2-(5-methylthiophen-2-yl)-2,3-dihydro-1H-indole?
5-tert-butyl-2-(5-methylthiophen-2-yl)-2,3-dihydro-1H-indole has a molecular weight of 271.43 g/mol, XLogP of 5.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-(5-methylthiophen-2-yl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 3533032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).