N-(naphthalen-2-ylmethyl)-N-piperidin-4-ylmethanesulfonamide

C17H22N2O2S — CID 44610723

IUPACN-(naphthalen-2-ylmethyl)-N-piperidin-4-ylmethanesulfonamide
SMILESCS(=O)(=O)N(Cc1ccc2ccccc2c1)C1CCNCC1
InChIInChI=1S/C17H22N2O2S/c1-22(20,21)19(17-8-10-18-11-9-17)13-14-6-7-15-4-2-3-5-16(15)12-14/h2-7,12,17-18H,8-11,13H2,1H3
InChIKeyHZPZVEJWTPAYPU-UHFFFAOYSA-N
MW318.44 g/mol
LogP2.35
Rot. Bonds4

About N-(naphthalen-2-ylmethyl)-N-piperidin-4-ylmethanesulfonamide

N-(naphthalen-2-ylmethyl)-N-piperidin-4-ylmethanesulfonamide (PubChem CID 44610723) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is N-(naphthalen-2-ylmethyl)-N-piperidin-4-ylmethanesulfonamide.

Molecular Properties

Compound NameN-(naphthalen-2-ylmethyl)-N-piperidin-4-ylmethanesulfonamide
PubChem CID44610723
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC NameN-(naphthalen-2-ylmethyl)-N-piperidin-4-ylmethanesulfonamide
SMILESCS(=O)(=O)N(Cc1ccc2ccccc2c1)C1CCNCC1
InChIInChI=1S/C17H22N2O2S/c1-22(20,21)19(17-8-10-18-11-9-17)13-14-6-7-15-4-2-3-5-16(15)12-14/h2-7,12,17-18H,8-11,13H2,1H3
InChIKeyHZPZVEJWTPAYPU-UHFFFAOYSA-N
XLogP2.35
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 ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(naphthalen-2-ylmethyl)-N-piperidin-4-ylmethanesulfonamide?
The IUPAC name of N-(naphthalen-2-ylmethyl)-N-piperidin-4-ylmethanesulfonamide (CID 44610723) is N-(naphthalen-2-ylmethyl)-N-piperidin-4-ylmethanesulfonamide.
What is the SMILES notation for N-(naphthalen-2-ylmethyl)-N-piperidin-4-ylmethanesulfonamide?
The canonical SMILES for N-(naphthalen-2-ylmethyl)-N-piperidin-4-ylmethanesulfonamide is CS(=O)(=O)N(Cc1ccc2ccccc2c1)C1CCNCC1.
What is the InChIKey of N-(naphthalen-2-ylmethyl)-N-piperidin-4-ylmethanesulfonamide?
The InChIKey is HZPZVEJWTPAYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S/c1-22(20,21)19(17-8-10-18-11-9-17)13-14-6-7-15-4-2-3-5-16(15)12-14/h2-7,12,17-18H,8-11,13H2,1H3.
What are the key properties of N-(naphthalen-2-ylmethyl)-N-piperidin-4-ylmethanesulfonamide?
N-(naphthalen-2-ylmethyl)-N-piperidin-4-ylmethanesulfonamide has a molecular weight of 318.44 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(naphthalen-2-ylmethyl)-N-piperidin-4-ylmethanesulfonamide is sourced from PubChem (CID 44610723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).