3-methyl-1-(1,2,3,4-tetrahydroquinolin-5-ylsulfonyl)piperidin-4-ol

C15H22N2O3S — CID 114678742

IUPAC3-methyl-1-(1,2,3,4-tetrahydroquinolin-5-ylsulfonyl)piperidin-4-ol
SMILESCC1CN(S(=O)(=O)c2cccc3c2CCCN3)CCC1O
InChIInChI=1S/C15H22N2O3S/c1-11-10-17(9-7-14(11)18)21(19,20)15-6-2-5-13-12(15)4-3-8-16-13/h2,5-6,11,14,16,18H,3-4,7-10H2,1H3
InChIKeyRUGMSVVQZBIKOM-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.44
Rot. Bonds2

About 3-methyl-1-(1,2,3,4-tetrahydroquinolin-5-ylsulfonyl)piperidin-4-ol

3-methyl-1-(1,2,3,4-tetrahydroquinolin-5-ylsulfonyl)piperidin-4-ol (PubChem CID 114678742) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 3-methyl-1-(1,2,3,4-tetrahydroquinolin-5-ylsulfonyl)piperidin-4-ol.

Molecular Properties

Compound Name3-methyl-1-(1,2,3,4-tetrahydroquinolin-5-ylsulfonyl)piperidin-4-ol
PubChem CID114678742
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name3-methyl-1-(1,2,3,4-tetrahydroquinolin-5-ylsulfonyl)piperidin-4-ol
SMILESCC1CN(S(=O)(=O)c2cccc3c2CCCN3)CCC1O
InChIInChI=1S/C15H22N2O3S/c1-11-10-17(9-7-14(11)18)21(19,20)15-6-2-5-13-12(15)4-3-8-16-13/h2,5-6,11,14,16,18H,3-4,7-10H2,1H3
InChIKeyRUGMSVVQZBIKOM-UHFFFAOYSA-N
XLogP1.44
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-methylpiperidin-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline
CID 104773704
5-(2-methylpyrrolidin-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline
CID 104773796
5-(4-methylpiperazin-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline
CID 104773713
4-methyl-1-(1,2,3,4-tetrahydroquinolin-5-ylsulfonyl)piperidin-4-ol
CID 104773938
5-(2-methylazepan-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline
CID 104773901
5-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]-1,2,3,4-tetrahydroquinoline
CID 104773733
N-[(1-methylpyrrolidin-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-5-sulfonamide
CID 104773789
1-[[2-(aminomethyl)-3-pyridinyl]sulfonyl]-3-methylpiperidin-4-ol
CID 106594973
N-cyclopentyl-N-methyl-1,2,3,4-tetrahydroquinoline-5-sulfonamide
CID 104773743
5-propan-2-ylsulfonyl-1,2,3,4-tetrahydroquinoline
CID 135388396
N-tert-butyl-1,2,3,4-tetrahydroquinoline-5-sulfonamide
CID 104773710
(3-methylpyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone
CID 55126550

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(1,2,3,4-tetrahydroquinolin-5-ylsulfonyl)piperidin-4-ol?
The IUPAC name of 3-methyl-1-(1,2,3,4-tetrahydroquinolin-5-ylsulfonyl)piperidin-4-ol (CID 114678742) is 3-methyl-1-(1,2,3,4-tetrahydroquinolin-5-ylsulfonyl)piperidin-4-ol.
What is the SMILES notation for 3-methyl-1-(1,2,3,4-tetrahydroquinolin-5-ylsulfonyl)piperidin-4-ol?
The canonical SMILES for 3-methyl-1-(1,2,3,4-tetrahydroquinolin-5-ylsulfonyl)piperidin-4-ol is CC1CN(S(=O)(=O)c2cccc3c2CCCN3)CCC1O.
What is the InChIKey of 3-methyl-1-(1,2,3,4-tetrahydroquinolin-5-ylsulfonyl)piperidin-4-ol?
The InChIKey is RUGMSVVQZBIKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-11-10-17(9-7-14(11)18)21(19,20)15-6-2-5-13-12(15)4-3-8-16-13/h2,5-6,11,14,16,18H,3-4,7-10H2,1H3.
What are the key properties of 3-methyl-1-(1,2,3,4-tetrahydroquinolin-5-ylsulfonyl)piperidin-4-ol?
3-methyl-1-(1,2,3,4-tetrahydroquinolin-5-ylsulfonyl)piperidin-4-ol has a molecular weight of 310.42 g/mol, XLogP of 1.44, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(1,2,3,4-tetrahydroquinolin-5-ylsulfonyl)piperidin-4-ol is sourced from PubChem (CID 114678742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).