N-[1-(3-ethyl-2-methylquinolin-4-yl)piperidin-4-yl]-N-methylethanesulfonamide

C20H29N3O2S — CID 133437703

IUPACN-[1-(3-ethyl-2-methylquinolin-4-yl)piperidin-4-yl]-N-methylethanesulfonamide
SMILESCCc1c(C)nc2ccccc2c1N1CCC(N(C)S(=O)(=O)CC)CC1
InChIInChI=1S/C20H29N3O2S/c1-5-17-15(3)21-19-10-8-7-9-18(19)20(17)23-13-11-16(12-14-23)22(4)26(24,25)6-2/h7-10,16H,5-6,11-14H2,1-4H3
InChIKeyIDPBFUBQKWMDFO-UHFFFAOYSA-N
MW375.54 g/mol
LogP3.36
Rot. Bonds5

About N-[1-(3-ethyl-2-methylquinolin-4-yl)piperidin-4-yl]-N-methylethanesulfonamide

N-[1-(3-ethyl-2-methylquinolin-4-yl)piperidin-4-yl]-N-methylethanesulfonamide (PubChem CID 133437703) has the molecular formula C20H29N3O2S and a molecular weight of 375.54 g/mol. Its IUPAC name is N-[1-(3-ethyl-2-methylquinolin-4-yl)piperidin-4-yl]-N-methylethanesulfonamide.

Molecular Properties

Compound NameN-[1-(3-ethyl-2-methylquinolin-4-yl)piperidin-4-yl]-N-methylethanesulfonamide
PubChem CID133437703
Molecular FormulaC20H29N3O2S
Molecular Weight375.54 g/mol
Exact Mass375.20
IUPAC NameN-[1-(3-ethyl-2-methylquinolin-4-yl)piperidin-4-yl]-N-methylethanesulfonamide
SMILESCCc1c(C)nc2ccccc2c1N1CCC(N(C)S(=O)(=O)CC)CC1
InChIInChI=1S/C20H29N3O2S/c1-5-17-15(3)21-19-10-8-7-9-18(19)20(17)23-13-11-16(12-14-23)22(4)26(24,25)6-2/h7-10,16H,5-6,11-14H2,1-4H3
InChIKeyIDPBFUBQKWMDFO-UHFFFAOYSA-N
XLogP3.36
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.54
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-ethyl-2-methylquinolin-4-yl)piperidin-4-yl]-N-methylethanesulfonamide?
The IUPAC name of N-[1-(3-ethyl-2-methylquinolin-4-yl)piperidin-4-yl]-N-methylethanesulfonamide (CID 133437703) is N-[1-(3-ethyl-2-methylquinolin-4-yl)piperidin-4-yl]-N-methylethanesulfonamide.
What is the SMILES notation for N-[1-(3-ethyl-2-methylquinolin-4-yl)piperidin-4-yl]-N-methylethanesulfonamide?
The canonical SMILES for N-[1-(3-ethyl-2-methylquinolin-4-yl)piperidin-4-yl]-N-methylethanesulfonamide is CCc1c(C)nc2ccccc2c1N1CCC(N(C)S(=O)(=O)CC)CC1.
What is the InChIKey of N-[1-(3-ethyl-2-methylquinolin-4-yl)piperidin-4-yl]-N-methylethanesulfonamide?
The InChIKey is IDPBFUBQKWMDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2S/c1-5-17-15(3)21-19-10-8-7-9-18(19)20(17)23-13-11-16(12-14-23)22(4)26(24,25)6-2/h7-10,16H,5-6,11-14H2,1-4H3.
What are the key properties of N-[1-(3-ethyl-2-methylquinolin-4-yl)piperidin-4-yl]-N-methylethanesulfonamide?
N-[1-(3-ethyl-2-methylquinolin-4-yl)piperidin-4-yl]-N-methylethanesulfonamide has a molecular weight of 375.54 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-ethyl-2-methylquinolin-4-yl)piperidin-4-yl]-N-methylethanesulfonamide is sourced from PubChem (CID 133437703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).