N-[1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]piperidin-4-yl]methanesulfonamide

C18H25N3O3S — CID 56759606

IUPACN-[1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]piperidin-4-yl]methanesulfonamide
SMILESCc1cc(C)c2[nH]c(=O)c(CN3CCC(NS(C)(=O)=O)CC3)cc2c1
InChIInChI=1S/C18H25N3O3S/c1-12-8-13(2)17-14(9-12)10-15(18(22)19-17)11-21-6-4-16(5-7-21)20-25(3,23)24/h8-10,16,20H,4-7,11H2,1-3H3,(H,19,22)
InChIKeyRCNASYAHEFYXIN-UHFFFAOYSA-N
MW363.48 g/mol
LogP1.66
Rot. Bonds4

About N-[1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]piperidin-4-yl]methanesulfonamide

N-[1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]piperidin-4-yl]methanesulfonamide (PubChem CID 56759606) has the molecular formula C18H25N3O3S and a molecular weight of 363.48 g/mol. Its IUPAC name is N-[1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]piperidin-4-yl]methanesulfonamide
PubChem CID56759606
Molecular FormulaC18H25N3O3S
Molecular Weight363.48 g/mol
Exact Mass363.16
IUPAC NameN-[1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]piperidin-4-yl]methanesulfonamide
SMILESCc1cc(C)c2[nH]c(=O)c(CN3CCC(NS(C)(=O)=O)CC3)cc2c1
InChIInChI=1S/C18H25N3O3S/c1-12-8-13(2)17-14(9-12)10-15(18(22)19-17)11-21-6-4-16(5-7-21)20-25(3,23)24/h8-10,16,20H,4-7,11H2,1-3H3,(H,19,22)
InChIKeyRCNASYAHEFYXIN-UHFFFAOYSA-N
XLogP1.66
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]piperidin-4-yl]methanesulfonamide?
The IUPAC name of N-[1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]piperidin-4-yl]methanesulfonamide (CID 56759606) is N-[1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]piperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]piperidin-4-yl]methanesulfonamide is Cc1cc(C)c2[nH]c(=O)c(CN3CCC(NS(C)(=O)=O)CC3)cc2c1.
What is the InChIKey of N-[1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]piperidin-4-yl]methanesulfonamide?
The InChIKey is RCNASYAHEFYXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3S/c1-12-8-13(2)17-14(9-12)10-15(18(22)19-17)11-21-6-4-16(5-7-21)20-25(3,23)24/h8-10,16,20H,4-7,11H2,1-3H3,(H,19,22).
What are the key properties of N-[1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]piperidin-4-yl]methanesulfonamide?
N-[1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]piperidin-4-yl]methanesulfonamide has a molecular weight of 363.48 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 56759606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).