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

C14H21N3O2S — CID 104773713

IUPAC5-(4-methylpiperazin-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline
SMILESCN1CCN(S(=O)(=O)c2cccc3c2CCCN3)CC1
InChIInChI=1S/C14H21N3O2S/c1-16-8-10-17(11-9-16)20(18,19)14-6-2-5-13-12(14)4-3-7-15-13/h2,5-6,15H,3-4,7-11H2,1H3
InChIKeyRRPAENKLNUFAHK-UHFFFAOYSA-N
MW295.41 g/mol
LogP0.98
Rot. Bonds2

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

5-(4-methylpiperazin-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline (PubChem CID 104773713) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is 5-(4-methylpiperazin-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name5-(4-methylpiperazin-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline
PubChem CID104773713
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name5-(4-methylpiperazin-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline
SMILESCN1CCN(S(=O)(=O)c2cccc3c2CCCN3)CC1
InChIInChI=1S/C14H21N3O2S/c1-16-8-10-17(11-9-16)20(18,19)14-6-2-5-13-12(14)4-3-7-15-13/h2,5-6,15H,3-4,7-11H2,1H3
InChIKeyRRPAENKLNUFAHK-UHFFFAOYSA-N
XLogP0.98
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]-1,2,3,4-tetrahydroquinoline
CID 104773733
5-(4-methylpiperidin-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline
CID 104773704
4-methyl-1-(1,2,3,4-tetrahydroquinolin-5-ylsulfonyl)piperidin-4-ol
CID 104773938
3-methyl-1-(1,2,3,4-tetrahydroquinolin-5-ylsulfonyl)piperidin-4-ol
CID 114678742
5-(2-methylpyrrolidin-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline
CID 104773796
5-(2-methylazepan-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline
CID 104773901
5-propan-2-ylsulfonyl-1,2,3,4-tetrahydroquinoline
CID 135388396
N-[(1-methylpyrrolidin-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-5-sulfonamide
CID 104773789
N-tert-butyl-1,2,3,4-tetrahydroquinoline-5-sulfonamide
CID 104773710
N-ethyl-N-propan-2-yl-1,2,3,4-tetrahydroquinoline-5-sulfonamide
CID 104773741
1-(2,3-dichlorophenyl)sulfonyl-4-methyl-1,4-diazepane chloride
CID 53350610
5-[(1-methylpiperidin-4-yl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075157

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylpiperazin-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 5-(4-methylpiperazin-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline (CID 104773713) is 5-(4-methylpiperazin-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 5-(4-methylpiperazin-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 5-(4-methylpiperazin-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline is CN1CCN(S(=O)(=O)c2cccc3c2CCCN3)CC1.
What is the InChIKey of 5-(4-methylpiperazin-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline?
The InChIKey is RRPAENKLNUFAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-16-8-10-17(11-9-16)20(18,19)14-6-2-5-13-12(14)4-3-7-15-13/h2,5-6,15H,3-4,7-11H2,1H3.
What are the key properties of 5-(4-methylpiperazin-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline?
5-(4-methylpiperazin-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 295.41 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylpiperazin-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 104773713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).