2-octylsulfinyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-3-amine

C19H28N2OS2 — CID 4001738

IUPAC2-octylsulfinyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-3-amine
SMILESCCCCCCCCS(=O)c1sc2nc3c(cc2c1N)CCCC3
InChIInChI=1S/C19H28N2OS2/c1-2-3-4-5-6-9-12-24(22)19-17(20)15-13-14-10-7-8-11-16(14)21-18(15)23-19/h13H,2-12,20H2,1H3
InChIKeyLNWNSZQYKALKJS-UHFFFAOYSA-N
MW364.58 g/mol
LogP5.23
Rot. Bonds8

About 2-octylsulfinyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-3-amine

2-octylsulfinyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-3-amine (PubChem CID 4001738) has the molecular formula C19H28N2OS2 and a molecular weight of 364.58 g/mol. Its IUPAC name is 2-octylsulfinyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-3-amine.

Molecular Properties

Compound Name2-octylsulfinyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-3-amine
PubChem CID4001738
Molecular FormulaC19H28N2OS2
Molecular Weight364.58 g/mol
Exact Mass364.16
IUPAC Name2-octylsulfinyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-3-amine
SMILESCCCCCCCCS(=O)c1sc2nc3c(cc2c1N)CCCC3
InChIInChI=1S/C19H28N2OS2/c1-2-3-4-5-6-9-12-24(22)19-17(20)15-13-14-10-7-8-11-16(14)21-18(15)23-19/h13H,2-12,20H2,1H3
InChIKeyLNWNSZQYKALKJS-UHFFFAOYSA-N
XLogP5.23
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.58
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-octylsulfinyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(Butane-1-sulfinyl)-4-phenyl-6-(thiophen-2-yl)thieno(2,3-b)pyridin-3-amine
CID 3337839
AE-641/00355019
CID 826449
3-Amino-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile
CID 713661
2-Butylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine
CID 72188205
1,2,3,4,7,8,9,10-Octahydro[1]benzothieno[2,3-b]quinolin-11-amine
CID 751739
2,3,4,7,8,9,10,11-octahydro-1H-cyclohepta[4,5]thieno[2,3-b]quinolin-12-amine
CID 882871
2-(Butane-1-sulfonyl)-4-phenyl-6-(thiophen-2-YL)thieno[2,3-B]pyridin-3-amine
CID 3337991
4,6-Dimethyl-2-(phenylsulfonyl)thieno[2,3-b]pyridin-3-amine
CID 629125
4,6-Dimethyl-2-(octylsulfinyl)thieno[2,3-b]pyridin-3-amine
CID 1717706
9-Methyl-1,2,3,4,7,8,9,10-octahydro[1]benzothieno[2,3-b]quinolin-11-amine
CID 2928334
2-Methanesulfonyl-4-phenyl-6-thiophen-2-yl-thieno[2,3-b]pyridin-3-ylamine
CID 654955
6-(4-Methylphenyl)-2-(methylsulfonyl)-4-phenylthieno[2,3-b]pyridin-3-amine
CID 1316236

Frequently Asked Questions

What is the IUPAC name of 2-octylsulfinyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-3-amine?
The IUPAC name of 2-octylsulfinyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-3-amine (CID 4001738) is 2-octylsulfinyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-3-amine.
What is the SMILES notation for 2-octylsulfinyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-3-amine?
The canonical SMILES for 2-octylsulfinyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-3-amine is CCCCCCCCS(=O)c1sc2nc3c(cc2c1N)CCCC3.
What is the InChIKey of 2-octylsulfinyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-3-amine?
The InChIKey is LNWNSZQYKALKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2OS2/c1-2-3-4-5-6-9-12-24(22)19-17(20)15-13-14-10-7-8-11-16(14)21-18(15)23-19/h13H,2-12,20H2,1H3.
What are the key properties of 2-octylsulfinyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-3-amine?
2-octylsulfinyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-3-amine has a molecular weight of 364.58 g/mol, XLogP of 5.23, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-octylsulfinyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-3-amine is sourced from PubChem (CID 4001738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).