2-[(R)-octylsulfinyl]-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine

C20H23F3N2OS3 — CID 92905376

IUPAC2-[(R)-octylsulfinyl]-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine
SMILESCCCCCCCC[S@@](=O)c1sc2nc(-c3cccs3)cc(C(F)(F)F)c2c1N
InChIInChI=1S/C20H23F3N2OS3/c1-2-3-4-5-6-7-11-29(26)19-17(24)16-13(20(21,22)23)12-14(25-18(16)28-19)15-9-8-10-27-15/h8-10,12H,2-7,11,24H2,1H3/t29-/m1/s1
InChIKeyRZHNPCOZDQTZAN-GDLZYMKVSA-N
MW460.61 g/mol
LogP7.09
Rot. Bonds9

About 2-[(R)-octylsulfinyl]-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine

2-[(R)-octylsulfinyl]-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine (PubChem CID 92905376) has the molecular formula C20H23F3N2OS3 and a molecular weight of 460.61 g/mol. Its IUPAC name is 2-[(R)-octylsulfinyl]-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine.

Molecular Properties

Compound Name2-[(R)-octylsulfinyl]-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine
PubChem CID92905376
Molecular FormulaC20H23F3N2OS3
Molecular Weight460.61 g/mol
Exact Mass460.09
IUPAC Name2-[(R)-octylsulfinyl]-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine
SMILESCCCCCCCC[S@@](=O)c1sc2nc(-c3cccs3)cc(C(F)(F)F)c2c1N
InChIInChI=1S/C20H23F3N2OS3/c1-2-3-4-5-6-7-11-29(26)19-17(24)16-13(20(21,22)23)12-14(25-18(16)28-19)15-9-8-10-27-15/h8-10,12H,2-7,11,24H2,1H3/t29-/m1/s1
InChIKeyRZHNPCOZDQTZAN-GDLZYMKVSA-N
XLogP7.09
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.61
LogP ≤ 57.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[(R)-octylsulfinyl]-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine with MolForge

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Launch Full Analysis

Related Compounds

2-octylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine
CID 3337992
6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2,3-diamine
CID 143534703
2-benzylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-hexylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-[methyl(methylidene)-λ4-sulfanyl]-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-pentylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine
CID 157257517
4-(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)sulfinylbutan-1-ol
CID 118050770
3-amino-2-butylsulfinyl-N,N-dimethyl-6-thiophen-2-ylthieno[2,3-b]pyridine-4-carboxamide;hexa-1,2,3,4,5-pentaene;penta-1,2,3,4-tetraene
CID 157492202
3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonitrile
CID 629766
4-(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)sulfinylbutyl acetate
CID 118050655
4-[(S)-(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)sulfinyl]butyl acetate
CID 134194395
[4-(3-amino-2-butylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridin-4-yl)phenyl]methyl 2-(dimethylamino)acetate
CID 129266602
3-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 2254947
3-amino-N-(4-methylphenyl)-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1040522
5-bromoocta-1,2,3,4,6,7-hexaene;4-(4-bromophenyl)-2-butylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;ethene;penta-1,2,3,4-tetraene
CID 158628602

Frequently Asked Questions

What is the IUPAC name of 2-[(R)-octylsulfinyl]-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine?
The IUPAC name of 2-[(R)-octylsulfinyl]-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine (CID 92905376) is 2-[(R)-octylsulfinyl]-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine.
What is the SMILES notation for 2-[(R)-octylsulfinyl]-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine?
The canonical SMILES for 2-[(R)-octylsulfinyl]-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine is CCCCCCCC[S@@](=O)c1sc2nc(-c3cccs3)cc(C(F)(F)F)c2c1N.
What is the InChIKey of 2-[(R)-octylsulfinyl]-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine?
The InChIKey is RZHNPCOZDQTZAN-GDLZYMKVSA-N. The full InChI is InChI=1S/C20H23F3N2OS3/c1-2-3-4-5-6-7-11-29(26)19-17(24)16-13(20(21,22)23)12-14(25-18(16)28-19)15-9-8-10-27-15/h8-10,12H,2-7,11,24H2,1H3/t29-/m1/s1.
What are the key properties of 2-[(R)-octylsulfinyl]-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine?
2-[(R)-octylsulfinyl]-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine has a molecular weight of 460.61 g/mol, XLogP of 7.09, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-octylsulfinyl]-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine is sourced from PubChem (CID 92905376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).