7-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline

C15H22N2O2S — CID 79181143

IUPAC7-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline
SMILESCC1CN(S(=O)(=O)c2ccc3c(c2)NCCC3)CC1C
InChIInChI=1S/C15H22N2O2S/c1-11-9-17(10-12(11)2)20(18,19)14-6-5-13-4-3-7-16-15(13)8-14/h5-6,8,11-12,16H,3-4,7,9-10H2,1-2H3
InChIKeyMDHUVUMRDIPAKE-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.32
Rot. Bonds2

About 7-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline

7-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline (PubChem CID 79181143) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 7-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name7-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline
PubChem CID79181143
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name7-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline
SMILESCC1CN(S(=O)(=O)c2ccc3c(c2)NCCC3)CC1C
InChIInChI=1S/C15H22N2O2S/c1-11-9-17(10-12(11)2)20(18,19)14-6-5-13-4-3-7-16-15(13)8-14/h5-6,8,11-12,16H,3-4,7,9-10H2,1-2H3
InChIKeyMDHUVUMRDIPAKE-UHFFFAOYSA-N
XLogP2.32
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-1-(1,2,3,4-tetrahydroquinolin-7-ylsulfonyl)piperidin-4-ol
CID 81108203
1-[1-(1,2,3,4-tetrahydroquinolin-7-ylsulfonyl)pyrrolidin-3-yl]ethanol
CID 115965542
2-[1-(1,2,3,4-tetrahydroquinolin-7-ylsulfonyl)pyrrolidin-3-yl]ethanol
CID 114798323
2-methyl-4-(1,2,3,4-tetrahydroquinolin-6-ylsulfonyl)morpholine
CID 43119875
1,2,3,4-tetrahydroquinoline-7-sulfonic acid;hydrate
CID 71328506
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-methylpyrrolidin-3-amine
CID 103576458
6-piperidin-1-ylsulfonyl-1,2,3,4-tetrahydroquinoline
CID 7064078
4-(2,3-dihydro-1H-indol-6-ylsulfonyl)piperazine-2,6-dione
CID 66062795
4-(1,2,3,4-tetrahydroquinolin-6-ylsulfonyl)thiomorpholine
CID 43119943
6-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]-1,2,3,4-tetrahydroquinoline
CID 28940779
2-[1-(2,3-dihydro-1H-indol-6-ylsulfonyl)piperidin-3-yl]ethanol
CID 107227904
N-(1-methylcyclopropyl)-1,2,3,4-tetrahydroquinoline-7-sulfonamide
CID 113485635

Frequently Asked Questions

What is the IUPAC name of 7-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 7-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline (CID 79181143) is 7-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 7-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 7-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline is CC1CN(S(=O)(=O)c2ccc3c(c2)NCCC3)CC1C.
What is the InChIKey of 7-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline?
The InChIKey is MDHUVUMRDIPAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-11-9-17(10-12(11)2)20(18,19)14-6-5-13-4-3-7-16-15(13)8-14/h5-6,8,11-12,16H,3-4,7,9-10H2,1-2H3.
What are the key properties of 7-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline?
7-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 294.42 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 79181143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).