1-ethylsulfonyl-6-propan-2-yl-3,4,6,7-tetrahydro-2H-quinoline

C14H23NO2S — CID 70820955

IUPAC1-ethylsulfonyl-6-propan-2-yl-3,4,6,7-tetrahydro-2H-quinoline
SMILESCCS(=O)(=O)N1CCCC2=CC(C(C)C)CC=C21
InChIInChI=1S/C14H23NO2S/c1-4-18(16,17)15-9-5-6-13-10-12(11(2)3)7-8-14(13)15/h8,10-12H,4-7,9H2,1-3H3
InChIKeyQJFPKJDQMGNGLE-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.92
Rot. Bonds3

About 1-ethylsulfonyl-6-propan-2-yl-3,4,6,7-tetrahydro-2H-quinoline

1-ethylsulfonyl-6-propan-2-yl-3,4,6,7-tetrahydro-2H-quinoline (PubChem CID 70820955) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is 1-ethylsulfonyl-6-propan-2-yl-3,4,6,7-tetrahydro-2H-quinoline.

Molecular Properties

Compound Name1-ethylsulfonyl-6-propan-2-yl-3,4,6,7-tetrahydro-2H-quinoline
PubChem CID70820955
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC Name1-ethylsulfonyl-6-propan-2-yl-3,4,6,7-tetrahydro-2H-quinoline
SMILESCCS(=O)(=O)N1CCCC2=CC(C(C)C)CC=C21
InChIInChI=1S/C14H23NO2S/c1-4-18(16,17)15-9-5-6-13-10-12(11(2)3)7-8-14(13)15/h8,10-12H,4-7,9H2,1-3H3
InChIKeyQJFPKJDQMGNGLE-UHFFFAOYSA-N
XLogP2.92
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-6-propan-2-yl-3,4,6,7-tetrahydro-2H-quinoline?
The IUPAC name of 1-ethylsulfonyl-6-propan-2-yl-3,4,6,7-tetrahydro-2H-quinoline (CID 70820955) is 1-ethylsulfonyl-6-propan-2-yl-3,4,6,7-tetrahydro-2H-quinoline.
What is the SMILES notation for 1-ethylsulfonyl-6-propan-2-yl-3,4,6,7-tetrahydro-2H-quinoline?
The canonical SMILES for 1-ethylsulfonyl-6-propan-2-yl-3,4,6,7-tetrahydro-2H-quinoline is CCS(=O)(=O)N1CCCC2=CC(C(C)C)CC=C21.
What is the InChIKey of 1-ethylsulfonyl-6-propan-2-yl-3,4,6,7-tetrahydro-2H-quinoline?
The InChIKey is QJFPKJDQMGNGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c1-4-18(16,17)15-9-5-6-13-10-12(11(2)3)7-8-14(13)15/h8,10-12H,4-7,9H2,1-3H3.
What are the key properties of 1-ethylsulfonyl-6-propan-2-yl-3,4,6,7-tetrahydro-2H-quinoline?
1-ethylsulfonyl-6-propan-2-yl-3,4,6,7-tetrahydro-2H-quinoline has a molecular weight of 269.41 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-6-propan-2-yl-3,4,6,7-tetrahydro-2H-quinoline is sourced from PubChem (CID 70820955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).