N-(piperidin-4-ylmethyl)-N-prop-2-enylnaphthalene-1-sulfonamide

C19H24N2O2S — CID 58961005

IUPACN-(piperidin-4-ylmethyl)-N-prop-2-enylnaphthalene-1-sulfonamide
SMILESC=CCN(CC1CCNCC1)S(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C19H24N2O2S/c1-2-14-21(15-16-10-12-20-13-11-16)24(22,23)19-9-5-7-17-6-3-4-8-18(17)19/h2-9,16,20H,1,10-15H2
InChIKeyXKPMNKRYEVXLBW-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.02
Rot. Bonds6

About N-(piperidin-4-ylmethyl)-N-prop-2-enylnaphthalene-1-sulfonamide

N-(piperidin-4-ylmethyl)-N-prop-2-enylnaphthalene-1-sulfonamide (PubChem CID 58961005) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is N-(piperidin-4-ylmethyl)-N-prop-2-enylnaphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-(piperidin-4-ylmethyl)-N-prop-2-enylnaphthalene-1-sulfonamide
PubChem CID58961005
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC NameN-(piperidin-4-ylmethyl)-N-prop-2-enylnaphthalene-1-sulfonamide
SMILESC=CCN(CC1CCNCC1)S(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C19H24N2O2S/c1-2-14-21(15-16-10-12-20-13-11-16)24(22,23)19-9-5-7-17-6-3-4-8-18(17)19/h2-9,16,20H,1,10-15H2
InChIKeyXKPMNKRYEVXLBW-UHFFFAOYSA-N
XLogP3.02
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(piperidin-4-ylmethyl)-N-prop-2-enylnaphthalene-1-sulfonamide?
The IUPAC name of N-(piperidin-4-ylmethyl)-N-prop-2-enylnaphthalene-1-sulfonamide (CID 58961005) is N-(piperidin-4-ylmethyl)-N-prop-2-enylnaphthalene-1-sulfonamide.
What is the SMILES notation for N-(piperidin-4-ylmethyl)-N-prop-2-enylnaphthalene-1-sulfonamide?
The canonical SMILES for N-(piperidin-4-ylmethyl)-N-prop-2-enylnaphthalene-1-sulfonamide is C=CCN(CC1CCNCC1)S(=O)(=O)c1cccc2ccccc12.
What is the InChIKey of N-(piperidin-4-ylmethyl)-N-prop-2-enylnaphthalene-1-sulfonamide?
The InChIKey is XKPMNKRYEVXLBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-2-14-21(15-16-10-12-20-13-11-16)24(22,23)19-9-5-7-17-6-3-4-8-18(17)19/h2-9,16,20H,1,10-15H2.
What are the key properties of N-(piperidin-4-ylmethyl)-N-prop-2-enylnaphthalene-1-sulfonamide?
N-(piperidin-4-ylmethyl)-N-prop-2-enylnaphthalene-1-sulfonamide has a molecular weight of 344.48 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-4-ylmethyl)-N-prop-2-enylnaphthalene-1-sulfonamide is sourced from PubChem (CID 58961005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).