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

C17H22N2O2S — CID 16887467

IUPACN-[(1-methylpiperidin-4-yl)methyl]naphthalene-1-sulfonamide
SMILESCN1CCC(CNS(=O)(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C17H22N2O2S/c1-19-11-9-14(10-12-19)13-18-22(20,21)17-8-4-6-15-5-2-3-7-16(15)17/h2-8,14,18H,9-13H2,1H3
InChIKeyYALNCCXJRJLIQY-UHFFFAOYSA-N
MW318.44 g/mol
LogP2.46
Rot. Bonds4

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

N-[(1-methylpiperidin-4-yl)methyl]naphthalene-1-sulfonamide (PubChem CID 16887467) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is N-[(1-methylpiperidin-4-yl)methyl]naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-[(1-methylpiperidin-4-yl)methyl]naphthalene-1-sulfonamide
PubChem CID16887467
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC NameN-[(1-methylpiperidin-4-yl)methyl]naphthalene-1-sulfonamide
SMILESCN1CCC(CNS(=O)(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C17H22N2O2S/c1-19-11-9-14(10-12-19)13-18-22(20,21)17-8-4-6-15-5-2-3-7-16(15)17/h2-8,14,18H,9-13H2,1H3
InChIKeyYALNCCXJRJLIQY-UHFFFAOYSA-N
XLogP2.46
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpiperidin-4-yl)methyl]naphthalene-1-sulfonamide?
The IUPAC name of N-[(1-methylpiperidin-4-yl)methyl]naphthalene-1-sulfonamide (CID 16887467) is N-[(1-methylpiperidin-4-yl)methyl]naphthalene-1-sulfonamide.
What is the SMILES notation for N-[(1-methylpiperidin-4-yl)methyl]naphthalene-1-sulfonamide?
The canonical SMILES for N-[(1-methylpiperidin-4-yl)methyl]naphthalene-1-sulfonamide is CN1CCC(CNS(=O)(=O)c2cccc3ccccc23)CC1.
What is the InChIKey of N-[(1-methylpiperidin-4-yl)methyl]naphthalene-1-sulfonamide?
The InChIKey is YALNCCXJRJLIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S/c1-19-11-9-14(10-12-19)13-18-22(20,21)17-8-4-6-15-5-2-3-7-16(15)17/h2-8,14,18H,9-13H2,1H3.
What are the key properties of N-[(1-methylpiperidin-4-yl)methyl]naphthalene-1-sulfonamide?
N-[(1-methylpiperidin-4-yl)methyl]naphthalene-1-sulfonamide has a molecular weight of 318.44 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpiperidin-4-yl)methyl]naphthalene-1-sulfonamide is sourced from PubChem (CID 16887467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).