6-propylsulfonyl-1,2,3,4-tetrahydroquinoline

C12H17NO2S — CID 82044394

IUPAC6-propylsulfonyl-1,2,3,4-tetrahydroquinoline
SMILESCCCS(=O)(=O)c1ccc2c(c1)CCCN2
InChIInChI=1S/C12H17NO2S/c1-2-8-16(14,15)11-5-6-12-10(9-11)4-3-7-13-12/h5-6,9,13H,2-4,7-8H2,1H3
InChIKeyTYQBZDUCTGGGCF-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.23
Rot. Bonds3

About 6-propylsulfonyl-1,2,3,4-tetrahydroquinoline

6-propylsulfonyl-1,2,3,4-tetrahydroquinoline (PubChem CID 82044394) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is 6-propylsulfonyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name6-propylsulfonyl-1,2,3,4-tetrahydroquinoline
PubChem CID82044394
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name6-propylsulfonyl-1,2,3,4-tetrahydroquinoline
SMILESCCCS(=O)(=O)c1ccc2c(c1)CCCN2
InChIInChI=1S/C12H17NO2S/c1-2-8-16(14,15)11-5-6-12-10(9-11)4-3-7-13-12/h5-6,9,13H,2-4,7-8H2,1H3
InChIKeyTYQBZDUCTGGGCF-UHFFFAOYSA-N
XLogP2.23
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethylsulfonyl-2,3-dihydro-1H-indole
CID 134176519
N-(3-ethylpentan-3-yl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 65042936
5-(3-chloropropylsulfonyl)-2,3-dihydro-1H-indole
CID 68564334
3-(2,3-dihydro-1H-indol-5-ylsulfonyl)propan-1-ol
CID 138112782
N-(cyclopropylmethyl)-N-methyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 54884366
N-butan-2-yl-N-ethyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 43274848
N',N'-dimethyl-1,2,3,4-tetrahydroquinoline-6-sulfonohydrazide
CID 83026660
3-(2,3-dihydro-1H-indol-5-ylsulfonyl)propanoic acid
CID 135392633
N-methyl-N-phenyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 22692420
N-(cyclobutylmethyl)-N-methyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 62856404
N-ethyl-N-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 43274009
6-piperidin-1-ylsulfonyl-1,2,3,4-tetrahydroquinoline
CID 7064078

Frequently Asked Questions

What is the IUPAC name of 6-propylsulfonyl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 6-propylsulfonyl-1,2,3,4-tetrahydroquinoline (CID 82044394) is 6-propylsulfonyl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 6-propylsulfonyl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 6-propylsulfonyl-1,2,3,4-tetrahydroquinoline is CCCS(=O)(=O)c1ccc2c(c1)CCCN2.
What is the InChIKey of 6-propylsulfonyl-1,2,3,4-tetrahydroquinoline?
The InChIKey is TYQBZDUCTGGGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-2-8-16(14,15)11-5-6-12-10(9-11)4-3-7-13-12/h5-6,9,13H,2-4,7-8H2,1H3.
What are the key properties of 6-propylsulfonyl-1,2,3,4-tetrahydroquinoline?
6-propylsulfonyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 239.34 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propylsulfonyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 82044394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).