2-(4-tert-butylphenyl)sulfonyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-3-amine

C21H24N2O2S2 — CID 3315544

IUPAC2-(4-tert-butylphenyl)sulfonyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-3-amine
SMILESCC(C)(C)c1ccc(S(=O)(=O)c2sc3nc4c(cc3c2N)CCCC4)cc1
InChIInChI=1S/C21H24N2O2S2/c1-21(2,3)14-8-10-15(11-9-14)27(24,25)20-18(22)16-12-13-6-4-5-7-17(13)23-19(16)26-20/h8-12H,4-7,22H2,1-3H3
InChIKeyHMYXRTNADVQLMG-UHFFFAOYSA-N
MW400.57 g/mol
LogP4.89
Rot. Bonds2

About 2-(4-tert-butylphenyl)sulfonyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-3-amine

2-(4-tert-butylphenyl)sulfonyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-3-amine (PubChem CID 3315544) has the molecular formula C21H24N2O2S2 and a molecular weight of 400.57 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)sulfonyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-3-amine.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)sulfonyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-3-amine
PubChem CID3315544
Molecular FormulaC21H24N2O2S2
Molecular Weight400.57 g/mol
Exact Mass400.13
IUPAC Name2-(4-tert-butylphenyl)sulfonyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-3-amine
SMILESCC(C)(C)c1ccc(S(=O)(=O)c2sc3nc4c(cc3c2N)CCCC4)cc1
InChIInChI=1S/C21H24N2O2S2/c1-21(2,3)14-8-10-15(11-9-14)27(24,25)20-18(22)16-12-13-6-4-5-7-17(13)23-19(16)26-20/h8-12H,4-7,22H2,1-3H3
InChIKeyHMYXRTNADVQLMG-UHFFFAOYSA-N
XLogP4.89
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.57
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-tert-butylphenyl)sulfonyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-3-amine with MolForge

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Related Compounds

2-(Butane-1-sulfinyl)-4-phenyl-6-(thiophen-2-yl)thieno(2,3-b)pyridin-3-amine
CID 3337839
2-Butylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine
CID 72188205
2-(Butane-1-sulfonyl)-4-phenyl-6-(thiophen-2-YL)thieno[2,3-B]pyridin-3-amine
CID 3337991
2-(Benzenesulfonyl)-4,6-dimethylthieno[2,3-b]pyridin-3-amine
CID 629125
4,6-Dimethyl-2-(octylsulfinyl)thieno[2,3-b]pyridin-3-amine
CID 1717706
2-(Octylsulfinyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-3-amine
CID 4001738
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
US9790233, ID SW208079
CID 3337838
2-Pentylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine
CID 72188203
2-Hexylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine
CID 72188204
2-[(R)-butylsulfinyl]-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine
CID 92272562

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)sulfonyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-3-amine?
The IUPAC name of 2-(4-tert-butylphenyl)sulfonyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-3-amine (CID 3315544) is 2-(4-tert-butylphenyl)sulfonyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-3-amine.
What is the SMILES notation for 2-(4-tert-butylphenyl)sulfonyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-3-amine?
The canonical SMILES for 2-(4-tert-butylphenyl)sulfonyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-3-amine is CC(C)(C)c1ccc(S(=O)(=O)c2sc3nc4c(cc3c2N)CCCC4)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)sulfonyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-3-amine?
The InChIKey is HMYXRTNADVQLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2S2/c1-21(2,3)14-8-10-15(11-9-14)27(24,25)20-18(22)16-12-13-6-4-5-7-17(13)23-19(16)26-20/h8-12H,4-7,22H2,1-3H3.
What are the key properties of 2-(4-tert-butylphenyl)sulfonyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-3-amine?
2-(4-tert-butylphenyl)sulfonyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-3-amine has a molecular weight of 400.57 g/mol, XLogP of 4.89, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)sulfonyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-3-amine is sourced from PubChem (CID 3315544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).