N-methyl-N-(piperidin-4-ylmethyl)naphthalene-1-sulfonamide

C17H22N2O2S — CID 58961088

IUPACN-methyl-N-(piperidin-4-ylmethyl)naphthalene-1-sulfonamide
SMILESCN(CC1CCNCC1)S(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C17H22N2O2S/c1-19(13-14-9-11-18-12-10-14)22(20,21)17-8-4-6-15-5-2-3-7-16(15)17/h2-8,14,18H,9-13H2,1H3
InChIKeyVAZLFHFPRUQGHF-UHFFFAOYSA-N
MW318.44 g/mol
LogP2.46
Rot. Bonds4

About N-methyl-N-(piperidin-4-ylmethyl)naphthalene-1-sulfonamide

N-methyl-N-(piperidin-4-ylmethyl)naphthalene-1-sulfonamide (PubChem CID 58961088) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is N-methyl-N-(piperidin-4-ylmethyl)naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-(piperidin-4-ylmethyl)naphthalene-1-sulfonamide
PubChem CID58961088
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC NameN-methyl-N-(piperidin-4-ylmethyl)naphthalene-1-sulfonamide
SMILESCN(CC1CCNCC1)S(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C17H22N2O2S/c1-19(13-14-9-11-18-12-10-14)22(20,21)17-8-4-6-15-5-2-3-7-16(15)17/h2-8,14,18H,9-13H2,1H3
InChIKeyVAZLFHFPRUQGHF-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-methyl-N-(piperidin-4-ylmethyl)naphthalene-1-sulfonamide?
The IUPAC name of N-methyl-N-(piperidin-4-ylmethyl)naphthalene-1-sulfonamide (CID 58961088) is N-methyl-N-(piperidin-4-ylmethyl)naphthalene-1-sulfonamide.
What is the SMILES notation for N-methyl-N-(piperidin-4-ylmethyl)naphthalene-1-sulfonamide?
The canonical SMILES for N-methyl-N-(piperidin-4-ylmethyl)naphthalene-1-sulfonamide is CN(CC1CCNCC1)S(=O)(=O)c1cccc2ccccc12.
What is the InChIKey of N-methyl-N-(piperidin-4-ylmethyl)naphthalene-1-sulfonamide?
The InChIKey is VAZLFHFPRUQGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S/c1-19(13-14-9-11-18-12-10-14)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-methyl-N-(piperidin-4-ylmethyl)naphthalene-1-sulfonamide?
N-methyl-N-(piperidin-4-ylmethyl)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-methyl-N-(piperidin-4-ylmethyl)naphthalene-1-sulfonamide is sourced from PubChem (CID 58961088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).