N-(piperidin-4-ylmethyl)-N-propylnaphthalene-1-sulfonamide

C19H26N2O2S — CID 58960997

IUPACN-(piperidin-4-ylmethyl)-N-propylnaphthalene-1-sulfonamide
SMILESCCCN(CC1CCNCC1)S(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C19H26N2O2S/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/h3-9,16,20H,2,10-15H2,1H3
InChIKeyQVMXUQKBHVAQBM-UHFFFAOYSA-N
MW346.50 g/mol
LogP3.24
Rot. Bonds6

About N-(piperidin-4-ylmethyl)-N-propylnaphthalene-1-sulfonamide

N-(piperidin-4-ylmethyl)-N-propylnaphthalene-1-sulfonamide (PubChem CID 58960997) has the molecular formula C19H26N2O2S and a molecular weight of 346.50 g/mol. Its IUPAC name is N-(piperidin-4-ylmethyl)-N-propylnaphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-(piperidin-4-ylmethyl)-N-propylnaphthalene-1-sulfonamide
PubChem CID58960997
Molecular FormulaC19H26N2O2S
Molecular Weight346.50 g/mol
Exact Mass346.17
IUPAC NameN-(piperidin-4-ylmethyl)-N-propylnaphthalene-1-sulfonamide
SMILESCCCN(CC1CCNCC1)S(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C19H26N2O2S/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/h3-9,16,20H,2,10-15H2,1H3
InChIKeyQVMXUQKBHVAQBM-UHFFFAOYSA-N
XLogP3.24
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(piperidin-4-ylmethyl)-N-propylnaphthalene-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-4-ylmethyl)-N-propylnaphthalene-1-sulfonamide?
The IUPAC name of N-(piperidin-4-ylmethyl)-N-propylnaphthalene-1-sulfonamide (CID 58960997) is N-(piperidin-4-ylmethyl)-N-propylnaphthalene-1-sulfonamide.
What is the SMILES notation for N-(piperidin-4-ylmethyl)-N-propylnaphthalene-1-sulfonamide?
The canonical SMILES for N-(piperidin-4-ylmethyl)-N-propylnaphthalene-1-sulfonamide is CCCN(CC1CCNCC1)S(=O)(=O)c1cccc2ccccc12.
What is the InChIKey of N-(piperidin-4-ylmethyl)-N-propylnaphthalene-1-sulfonamide?
The InChIKey is QVMXUQKBHVAQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2S/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/h3-9,16,20H,2,10-15H2,1H3.
What are the key properties of N-(piperidin-4-ylmethyl)-N-propylnaphthalene-1-sulfonamide?
N-(piperidin-4-ylmethyl)-N-propylnaphthalene-1-sulfonamide has a molecular weight of 346.50 g/mol, XLogP of 3.24, 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-propylnaphthalene-1-sulfonamide is sourced from PubChem (CID 58960997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).