N-(1-dibenzothiophen-4-ylethyl)-2,3,4,5-tetrahydropyridin-6-amine

C19H20N2S — CID 21395154

IUPACN-(1-dibenzothiophen-4-ylethyl)-2,3,4,5-tetrahydropyridin-6-amine
SMILESCC(NC1=NCCCC1)c1cccc2c1sc1ccccc12
InChIInChI=1S/C19H20N2S/c1-13(21-18-11-4-5-12-20-18)14-8-6-9-16-15-7-2-3-10-17(15)22-19(14)16/h2-3,6-10,13H,4-5,11-12H2,1H3,(H,20,21)
InChIKeyOGMOJBZYLWXWPE-UHFFFAOYSA-N
MW308.45 g/mol
LogP5.29
Rot. Bonds2

About N-(1-dibenzothiophen-4-ylethyl)-2,3,4,5-tetrahydropyridin-6-amine

N-(1-dibenzothiophen-4-ylethyl)-2,3,4,5-tetrahydropyridin-6-amine (PubChem CID 21395154) has the molecular formula C19H20N2S and a molecular weight of 308.45 g/mol. Its IUPAC name is N-(1-dibenzothiophen-4-ylethyl)-2,3,4,5-tetrahydropyridin-6-amine.

Molecular Properties

Compound NameN-(1-dibenzothiophen-4-ylethyl)-2,3,4,5-tetrahydropyridin-6-amine
PubChem CID21395154
Molecular FormulaC19H20N2S
Molecular Weight308.45 g/mol
Exact Mass308.13
IUPAC NameN-(1-dibenzothiophen-4-ylethyl)-2,3,4,5-tetrahydropyridin-6-amine
SMILESCC(NC1=NCCCC1)c1cccc2c1sc1ccccc12
InChIInChI=1S/C19H20N2S/c1-13(21-18-11-4-5-12-20-18)14-8-6-9-16-15-7-2-3-10-17(15)22-19(14)16/h2-3,6-10,13H,4-5,11-12H2,1H3,(H,20,21)
InChIKeyOGMOJBZYLWXWPE-UHFFFAOYSA-N
XLogP5.29
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.45
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-phenanthren-9-ylethyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 19771585
N-[(1S)-1-pyridin-2-ylethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 81401524
4-butan-2-yldibenzothiophene
CID 59503099
N-[(1S)-1-(3-methylphenyl)ethyl]-3,4-dihydro-2H-pyrrol-5-amine
CID 81361336
N'-(1-dibenzothiophen-4-ylethyl)-N-[1-(3,5-dibromophenyl)ethylidene]benzenecarboximidamide
CID 147325589
tetra(dibenzothiophen-4-yl)-λ4-sulfane
CID 134590724
4-(dichloromethyl)thioxanthen-9-one
CID 68549229
2-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)propanoic acid
CID 21203676
3,26-dithiaheptacyclo[13.11.1.12,10.04,9.019,27.020,25.014,28]octacosa-1,4,6,8,10(28),11,13,15,17,19(27),20,22,24-tridecaene
CID 149009096
N-[4-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-methyl-1-benzothiophene-3-sulfonamide
CID 75425222
15-methyl-12,18-dithia-15-azaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene
CID 134472332
1,3-di(dibenzothiophen-4-yl)-2-[1,3-di(dibenzothiophen-4-yl)imidazolidin-2-ylidene]imidazolidine
CID 118133826

Frequently Asked Questions

What is the IUPAC name of N-(1-dibenzothiophen-4-ylethyl)-2,3,4,5-tetrahydropyridin-6-amine?
The IUPAC name of N-(1-dibenzothiophen-4-ylethyl)-2,3,4,5-tetrahydropyridin-6-amine (CID 21395154) is N-(1-dibenzothiophen-4-ylethyl)-2,3,4,5-tetrahydropyridin-6-amine.
What is the SMILES notation for N-(1-dibenzothiophen-4-ylethyl)-2,3,4,5-tetrahydropyridin-6-amine?
The canonical SMILES for N-(1-dibenzothiophen-4-ylethyl)-2,3,4,5-tetrahydropyridin-6-amine is CC(NC1=NCCCC1)c1cccc2c1sc1ccccc12.
What is the InChIKey of N-(1-dibenzothiophen-4-ylethyl)-2,3,4,5-tetrahydropyridin-6-amine?
The InChIKey is OGMOJBZYLWXWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2S/c1-13(21-18-11-4-5-12-20-18)14-8-6-9-16-15-7-2-3-10-17(15)22-19(14)16/h2-3,6-10,13H,4-5,11-12H2,1H3,(H,20,21).
What are the key properties of N-(1-dibenzothiophen-4-ylethyl)-2,3,4,5-tetrahydropyridin-6-amine?
N-(1-dibenzothiophen-4-ylethyl)-2,3,4,5-tetrahydropyridin-6-amine has a molecular weight of 308.45 g/mol, XLogP of 5.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-dibenzothiophen-4-ylethyl)-2,3,4,5-tetrahydropyridin-6-amine is sourced from PubChem (CID 21395154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).