N-(2-tert-butylcyclohexa-1,5-dien-1-yl)-N,6-dimethyldibenzothiophen-4-amine

C24H27NS — CID 135244026

IUPACN-(2-tert-butylcyclohexa-1,5-dien-1-yl)-N,6-dimethyldibenzothiophen-4-amine
SMILESCc1cccc2c1sc1c(N(C)C3=C(C(C)(C)C)CCC=C3)cccc12
InChIInChI=1S/C24H27NS/c1-16-10-8-11-17-18-12-9-15-21(23(18)26-22(16)17)25(5)20-14-7-6-13-19(20)24(2,3)4/h7-12,14-15H,6,13H2,1-5H3
InChIKeyZSKDAFVIUZYIKH-UHFFFAOYSA-N
MW361.55 g/mol
LogP7.45
Rot. Bonds2

About N-(2-tert-butylcyclohexa-1,5-dien-1-yl)-N,6-dimethyldibenzothiophen-4-amine

N-(2-tert-butylcyclohexa-1,5-dien-1-yl)-N,6-dimethyldibenzothiophen-4-amine (PubChem CID 135244026) has the molecular formula C24H27NS and a molecular weight of 361.55 g/mol. Its IUPAC name is N-(2-tert-butylcyclohexa-1,5-dien-1-yl)-N,6-dimethyldibenzothiophen-4-amine.

Molecular Properties

Compound NameN-(2-tert-butylcyclohexa-1,5-dien-1-yl)-N,6-dimethyldibenzothiophen-4-amine
PubChem CID135244026
Molecular FormulaC24H27NS
Molecular Weight361.55 g/mol
Exact Mass361.19
IUPAC NameN-(2-tert-butylcyclohexa-1,5-dien-1-yl)-N,6-dimethyldibenzothiophen-4-amine
SMILESCc1cccc2c1sc1c(N(C)C3=C(C(C)(C)C)CCC=C3)cccc12
InChIInChI=1S/C24H27NS/c1-16-10-8-11-17-18-12-9-15-21(23(18)26-22(16)17)25(5)20-14-7-6-13-19(20)24(2,3)4/h7-12,14-15H,6,13H2,1-5H3
InChIKeyZSKDAFVIUZYIKH-UHFFFAOYSA-N
XLogP7.45
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.55
LogP ≤ 57.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,6-dimethyldibenzothiophene
CID 161055331
N,6-dimethyl-N-(2-propan-2-ylphenyl)dibenzothiophen-4-amine
CID 134528013
N-cyclohexa-2,4-dien-1-yl-N,6-dimethyldibenzothiophen-4-amine
CID 167249229
2-tert-butyl-3,7-dimethyl-1-benzothiophene
CID 155456279
N-(2-tert-butylphenyl)-6-fluoro-N-methyldibenzothiophen-4-amine
CID 134528024
6-tert-butyl-N-(4-fluorophenyl)-N-methyldibenzothiophen-4-amine
CID 138652843
N-(2-tert-butylphenyl)-N-methyl-6-trimethylsilyldibenzothiophen-4-amine
CID 140873324
4,5-dimethylthioxanthen-9-one
CID 10800095
N-(4-cyclohexylphenyl)-N-iodo-6-methyldibenzothiophen-4-amine
CID 137415879
4,6-dimethyl-[1]benzothiolo[3,2-c]pyridine
CID 129292222
6-fluoro-N-methyl-N-[2-(trifluoromethyl)phenyl]dibenzothiophen-4-amine
CID 134528026
N-methyl-N-(4-methylphenyl)dibenzothiophen-4-amine
CID 138652425

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylcyclohexa-1,5-dien-1-yl)-N,6-dimethyldibenzothiophen-4-amine?
The IUPAC name of N-(2-tert-butylcyclohexa-1,5-dien-1-yl)-N,6-dimethyldibenzothiophen-4-amine (CID 135244026) is N-(2-tert-butylcyclohexa-1,5-dien-1-yl)-N,6-dimethyldibenzothiophen-4-amine.
What is the SMILES notation for N-(2-tert-butylcyclohexa-1,5-dien-1-yl)-N,6-dimethyldibenzothiophen-4-amine?
The canonical SMILES for N-(2-tert-butylcyclohexa-1,5-dien-1-yl)-N,6-dimethyldibenzothiophen-4-amine is Cc1cccc2c1sc1c(N(C)C3=C(C(C)(C)C)CCC=C3)cccc12.
What is the InChIKey of N-(2-tert-butylcyclohexa-1,5-dien-1-yl)-N,6-dimethyldibenzothiophen-4-amine?
The InChIKey is ZSKDAFVIUZYIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NS/c1-16-10-8-11-17-18-12-9-15-21(23(18)26-22(16)17)25(5)20-14-7-6-13-19(20)24(2,3)4/h7-12,14-15H,6,13H2,1-5H3.
What are the key properties of N-(2-tert-butylcyclohexa-1,5-dien-1-yl)-N,6-dimethyldibenzothiophen-4-amine?
N-(2-tert-butylcyclohexa-1,5-dien-1-yl)-N,6-dimethyldibenzothiophen-4-amine has a molecular weight of 361.55 g/mol, XLogP of 7.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylcyclohexa-1,5-dien-1-yl)-N,6-dimethyldibenzothiophen-4-amine is sourced from PubChem (CID 135244026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).