N,N-dimethyldibenzothiophen-1-amine;ethane

C22H37NS — CID 157496126

IUPACN,N-dimethyldibenzothiophen-1-amine;ethane
SMILESCC.CC.CC.CC.CN(C)c1cccc2sc3ccccc3c12
InChIInChI=1S/C14H13NS.4C2H6/c1-15(2)11-7-5-9-13-14(11)10-6-3-4-8-12(10)16-13;4*1-2/h3-9H,1-2H3;4*1-2H3
InChIKeyBXVWKPPIVAULMS-UHFFFAOYSA-N
MW347.61 g/mol
LogP8.23
Rot. Bonds1

About N,N-dimethyldibenzothiophen-1-amine;ethane

N,N-dimethyldibenzothiophen-1-amine;ethane (PubChem CID 157496126) has the molecular formula C22H37NS and a molecular weight of 347.61 g/mol. Its IUPAC name is N,N-dimethyldibenzothiophen-1-amine;ethane.

Molecular Properties

Compound NameN,N-dimethyldibenzothiophen-1-amine;ethane
PubChem CID157496126
Molecular FormulaC22H37NS
Molecular Weight347.61 g/mol
Exact Mass347.26
IUPAC NameN,N-dimethyldibenzothiophen-1-amine;ethane
SMILESCC.CC.CC.CC.CN(C)c1cccc2sc3ccccc3c12
InChIInChI=1S/C14H13NS.4C2H6/c1-15(2)11-7-5-9-13-14(11)10-6-3-4-8-12(10)16-13;4*1-2/h3-9H,1-2H3;4*1-2H3
InChIKeyBXVWKPPIVAULMS-UHFFFAOYSA-N
XLogP8.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.61
LogP ≤ 58.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,1-N,9-N,9-N-tetramethyldibenzothiophene-1,9-diamine
CID 14024666
N-methyl-N-phenyldibenzothiophen-1-amine
CID 137491193
1-methyldibenzothiophene
CID 23839
bis(dibenzothiophene);ethane
CID 143921746
N-(4-methylphenyl)-N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 156521449
N,N-dioctyldibenzothiophen-1-amine
CID 159643290
2-dibenzothiophen-1-yl-1,1,3,3-tetramethylguanidine
CID 71037971
dibenzothiophene;ethane;molecular hydrogen
CID 145320534
N,N-bis[3-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine
CID 164744357
2-[2-(N-(4-dibenzothiophen-1-ylphenyl)anilino)phenyl]-N,N-diphenylaniline
CID 167087126
N-(2-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine
CID 168791054
N-[3-[3-(N-dibenzothiophen-1-yl-2-phenylanilino)phenyl]phenyl]-N-(2-phenylphenyl)dibenzothiophen-1-amine
CID 167086970

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyldibenzothiophen-1-amine;ethane?
The IUPAC name of N,N-dimethyldibenzothiophen-1-amine;ethane (CID 157496126) is N,N-dimethyldibenzothiophen-1-amine;ethane.
What is the SMILES notation for N,N-dimethyldibenzothiophen-1-amine;ethane?
The canonical SMILES for N,N-dimethyldibenzothiophen-1-amine;ethane is CC.CC.CC.CC.CN(C)c1cccc2sc3ccccc3c12.
What is the InChIKey of N,N-dimethyldibenzothiophen-1-amine;ethane?
The InChIKey is BXVWKPPIVAULMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NS.4C2H6/c1-15(2)11-7-5-9-13-14(11)10-6-3-4-8-12(10)16-13;4*1-2/h3-9H,1-2H3;4*1-2H3.
What are the key properties of N,N-dimethyldibenzothiophen-1-amine;ethane?
N,N-dimethyldibenzothiophen-1-amine;ethane has a molecular weight of 347.61 g/mol, XLogP of 8.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyldibenzothiophen-1-amine;ethane is sourced from PubChem (CID 157496126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).