2-[(4-chlorophenyl)methylsulfonyl]-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-3-amine

C18H17ClN2O2S2 — CID 1160047

IUPAC2-[(4-chlorophenyl)methylsulfonyl]-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-3-amine
SMILESNc1c(S(=O)(=O)Cc2ccc(Cl)cc2)sc2nc3c(cc12)CCCC3
InChIInChI=1S/C18H17ClN2O2S2/c19-13-7-5-11(6-8-13)10-25(22,23)18-16(20)14-9-12-3-1-2-4-15(12)21-17(14)24-18/h5-9H,1-4,10,20H2
InChIKeyBCHFFXBBOOSEJP-UHFFFAOYSA-N
MW392.93 g/mol
LogP4.38
Rot. Bonds3

About 2-[(4-chlorophenyl)methylsulfonyl]-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-3-amine

2-[(4-chlorophenyl)methylsulfonyl]-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-3-amine (PubChem CID 1160047) has the molecular formula C18H17ClN2O2S2 and a molecular weight of 392.93 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylsulfonyl]-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-3-amine.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylsulfonyl]-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-3-amine
PubChem CID1160047
Molecular FormulaC18H17ClN2O2S2
Molecular Weight392.93 g/mol
Exact Mass392.04
IUPAC Name2-[(4-chlorophenyl)methylsulfonyl]-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-3-amine
SMILESNc1c(S(=O)(=O)Cc2ccc(Cl)cc2)sc2nc3c(cc12)CCCC3
InChIInChI=1S/C18H17ClN2O2S2/c19-13-7-5-11(6-8-13)10-25(22,23)18-16(20)14-9-12-3-1-2-4-15(12)21-17(14)24-18/h5-9H,1-4,10,20H2
InChIKeyBCHFFXBBOOSEJP-UHFFFAOYSA-N
XLogP4.38
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.93
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methylsulfonyl]-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-3-amine?
The IUPAC name of 2-[(4-chlorophenyl)methylsulfonyl]-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-3-amine (CID 1160047) is 2-[(4-chlorophenyl)methylsulfonyl]-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-3-amine.
What is the SMILES notation for 2-[(4-chlorophenyl)methylsulfonyl]-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-3-amine?
The canonical SMILES for 2-[(4-chlorophenyl)methylsulfonyl]-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-3-amine is Nc1c(S(=O)(=O)Cc2ccc(Cl)cc2)sc2nc3c(cc12)CCCC3.
What is the InChIKey of 2-[(4-chlorophenyl)methylsulfonyl]-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-3-amine?
The InChIKey is BCHFFXBBOOSEJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O2S2/c19-13-7-5-11(6-8-13)10-25(22,23)18-16(20)14-9-12-3-1-2-4-15(12)21-17(14)24-18/h5-9H,1-4,10,20H2.
What are the key properties of 2-[(4-chlorophenyl)methylsulfonyl]-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-3-amine?
2-[(4-chlorophenyl)methylsulfonyl]-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-3-amine has a molecular weight of 392.93 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylsulfonyl]-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-3-amine is sourced from PubChem (CID 1160047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).