5-(2-methylpyrrolidin-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline

C14H20N2O2S — CID 104773796

IUPAC5-(2-methylpyrrolidin-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline
SMILESCC1CCCN1S(=O)(=O)c1cccc2c1CCCN2
InChIInChI=1S/C14H20N2O2S/c1-11-5-4-10-16(11)19(17,18)14-8-2-7-13-12(14)6-3-9-15-13/h2,7-8,11,15H,3-6,9-10H2,1H3
InChIKeySLJUIBGGXVEHEV-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.22
Rot. Bonds2

About 5-(2-methylpyrrolidin-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline

5-(2-methylpyrrolidin-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline (PubChem CID 104773796) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 5-(2-methylpyrrolidin-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name5-(2-methylpyrrolidin-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline
PubChem CID104773796
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name5-(2-methylpyrrolidin-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline
SMILESCC1CCCN1S(=O)(=O)c1cccc2c1CCCN2
InChIInChI=1S/C14H20N2O2S/c1-11-5-4-10-16(11)19(17,18)14-8-2-7-13-12(14)6-3-9-15-13/h2,7-8,11,15H,3-6,9-10H2,1H3
InChIKeySLJUIBGGXVEHEV-UHFFFAOYSA-N
XLogP2.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-methylazepan-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline
CID 104773901
5-(4-methylpiperidin-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline
CID 104773704
3-methyl-1-(1,2,3,4-tetrahydroquinolin-5-ylsulfonyl)piperidin-4-ol
CID 114678742
2-methyl-N-(1,2,3,4-tetrahydroquinolin-5-yl)piperidine-1-sulfonamide
CID 43093895
5-(4-methylpiperazin-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline
CID 104773713
5-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]-1,2,3,4-tetrahydroquinoline
CID 104773733
4-methyl-1-(1,2,3,4-tetrahydroquinolin-5-ylsulfonyl)piperidin-4-ol
CID 104773938
N-cyclopentyl-N-methyl-1,2,3,4-tetrahydroquinoline-5-sulfonamide
CID 104773743
5-propan-2-ylsulfonyl-1,2,3,4-tetrahydroquinoline
CID 135388396
2-(2-methylpiperidin-1-yl)sulfonylbenzonitrile
CID 3523290
N-[(5-oxopyrrolidin-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-5-sulfonamide
CID 104773905
2-methyl-1-(3-methylphenyl)sulfonylpyrrolidine
CID 110728239

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpyrrolidin-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 5-(2-methylpyrrolidin-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline (CID 104773796) is 5-(2-methylpyrrolidin-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 5-(2-methylpyrrolidin-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 5-(2-methylpyrrolidin-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline is CC1CCCN1S(=O)(=O)c1cccc2c1CCCN2.
What is the InChIKey of 5-(2-methylpyrrolidin-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline?
The InChIKey is SLJUIBGGXVEHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-11-5-4-10-16(11)19(17,18)14-8-2-7-13-12(14)6-3-9-15-13/h2,7-8,11,15H,3-6,9-10H2,1H3.
What are the key properties of 5-(2-methylpyrrolidin-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline?
5-(2-methylpyrrolidin-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 280.39 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpyrrolidin-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 104773796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).