N-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]naphthalene-2-sulfonamide

C19H24N2O3S — CID 1093332

IUPACN-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]naphthalene-2-sulfonamide
SMILESCC1CCN(C(=O)CN(C)S(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C19H24N2O3S/c1-15-9-11-21(12-10-15)19(22)14-20(2)25(23,24)18-8-7-16-5-3-4-6-17(16)13-18/h3-8,13,15H,9-12,14H2,1-2H3
InChIKeyXZOCWICZQWKGRJ-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.72
Rot. Bonds4

About N-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]naphthalene-2-sulfonamide

N-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]naphthalene-2-sulfonamide (PubChem CID 1093332) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is N-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]naphthalene-2-sulfonamide
PubChem CID1093332
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC NameN-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]naphthalene-2-sulfonamide
SMILESCC1CCN(C(=O)CN(C)S(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C19H24N2O3S/c1-15-9-11-21(12-10-15)19(22)14-20(2)25(23,24)18-8-7-16-5-3-4-6-17(16)13-18/h3-8,13,15H,9-12,14H2,1-2H3
InChIKeyXZOCWICZQWKGRJ-UHFFFAOYSA-N
XLogP2.72
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]naphthalene-2-sulfonamide?
The IUPAC name of N-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]naphthalene-2-sulfonamide (CID 1093332) is N-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]naphthalene-2-sulfonamide?
The canonical SMILES for N-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]naphthalene-2-sulfonamide is CC1CCN(C(=O)CN(C)S(=O)(=O)c2ccc3ccccc3c2)CC1.
What is the InChIKey of N-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]naphthalene-2-sulfonamide?
The InChIKey is XZOCWICZQWKGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-15-9-11-21(12-10-15)19(22)14-20(2)25(23,24)18-8-7-16-5-3-4-6-17(16)13-18/h3-8,13,15H,9-12,14H2,1-2H3.
What are the key properties of N-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]naphthalene-2-sulfonamide?
N-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]naphthalene-2-sulfonamide has a molecular weight of 360.48 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 1093332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).