N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]naphthalene-1-sulfonamide

C19H26N2O3S — CID 16887641

IUPACN-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]naphthalene-1-sulfonamide
SMILESCOCCN1CCC(CNS(=O)(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C19H26N2O3S/c1-24-14-13-21-11-9-16(10-12-21)15-20-25(22,23)19-8-4-6-17-5-2-3-7-18(17)19/h2-8,16,20H,9-15H2,1H3
InChIKeyTZSRIIVYNCSTFZ-UHFFFAOYSA-N
MW362.49 g/mol
LogP2.48
Rot. Bonds7

About N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]naphthalene-1-sulfonamide

N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]naphthalene-1-sulfonamide (PubChem CID 16887641) has the molecular formula C19H26N2O3S and a molecular weight of 362.49 g/mol. Its IUPAC name is N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]naphthalene-1-sulfonamide
PubChem CID16887641
Molecular FormulaC19H26N2O3S
Molecular Weight362.49 g/mol
Exact Mass362.17
IUPAC NameN-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]naphthalene-1-sulfonamide
SMILESCOCCN1CCC(CNS(=O)(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C19H26N2O3S/c1-24-14-13-21-11-9-16(10-12-21)15-20-25(22,23)19-8-4-6-17-5-2-3-7-18(17)19/h2-8,16,20H,9-15H2,1H3
InChIKeyTZSRIIVYNCSTFZ-UHFFFAOYSA-N
XLogP2.48
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.49
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]naphthalene-1-sulfonamide?
The IUPAC name of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]naphthalene-1-sulfonamide (CID 16887641) is N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]naphthalene-1-sulfonamide.
What is the SMILES notation for N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]naphthalene-1-sulfonamide?
The canonical SMILES for N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]naphthalene-1-sulfonamide is COCCN1CCC(CNS(=O)(=O)c2cccc3ccccc23)CC1.
What is the InChIKey of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]naphthalene-1-sulfonamide?
The InChIKey is TZSRIIVYNCSTFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3S/c1-24-14-13-21-11-9-16(10-12-21)15-20-25(22,23)19-8-4-6-17-5-2-3-7-18(17)19/h2-8,16,20H,9-15H2,1H3.
What are the key properties of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]naphthalene-1-sulfonamide?
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]naphthalene-1-sulfonamide has a molecular weight of 362.49 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]naphthalene-1-sulfonamide is sourced from PubChem (CID 16887641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).