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

C19H26N2OS — CID 142909479

IUPACN-(piperidin-4-ylmethyl)-N-propylnaphthalene-1-sulfinamide
SMILESCCCN(CC1CCNCC1)S(=O)c1cccc2ccccc12
InChIInChI=1S/C19H26N2OS/c1-2-14-21(15-16-10-12-20-13-11-16)23(22)19-9-5-7-17-6-3-4-8-18(17)19/h3-9,16,20H,2,10-15H2,1H3
InChIKeyDKJSSUKWXIYPEV-UHFFFAOYSA-N
MW330.50 g/mol
LogP3.57
Rot. Bonds6

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

N-(piperidin-4-ylmethyl)-N-propylnaphthalene-1-sulfinamide (PubChem CID 142909479) has the molecular formula C19H26N2OS and a molecular weight of 330.50 g/mol. Its IUPAC name is N-(piperidin-4-ylmethyl)-N-propylnaphthalene-1-sulfinamide.

Molecular Properties

Compound NameN-(piperidin-4-ylmethyl)-N-propylnaphthalene-1-sulfinamide
PubChem CID142909479
Molecular FormulaC19H26N2OS
Molecular Weight330.50 g/mol
Exact Mass330.18
IUPAC NameN-(piperidin-4-ylmethyl)-N-propylnaphthalene-1-sulfinamide
SMILESCCCN(CC1CCNCC1)S(=O)c1cccc2ccccc12
InChIInChI=1S/C19H26N2OS/c1-2-14-21(15-16-10-12-20-13-11-16)23(22)19-9-5-7-17-6-3-4-8-18(17)19/h3-9,16,20H,2,10-15H2,1H3
InChIKeyDKJSSUKWXIYPEV-UHFFFAOYSA-N
XLogP3.57
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.50
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(piperidin-4-ylmethyl)-N-propylnaphthalene-1-sulfinamide 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-sulfinamide?
The IUPAC name of N-(piperidin-4-ylmethyl)-N-propylnaphthalene-1-sulfinamide (CID 142909479) is N-(piperidin-4-ylmethyl)-N-propylnaphthalene-1-sulfinamide.
What is the SMILES notation for N-(piperidin-4-ylmethyl)-N-propylnaphthalene-1-sulfinamide?
The canonical SMILES for N-(piperidin-4-ylmethyl)-N-propylnaphthalene-1-sulfinamide is CCCN(CC1CCNCC1)S(=O)c1cccc2ccccc12.
What is the InChIKey of N-(piperidin-4-ylmethyl)-N-propylnaphthalene-1-sulfinamide?
The InChIKey is DKJSSUKWXIYPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2OS/c1-2-14-21(15-16-10-12-20-13-11-16)23(22)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-sulfinamide?
N-(piperidin-4-ylmethyl)-N-propylnaphthalene-1-sulfinamide has a molecular weight of 330.50 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-4-ylmethyl)-N-propylnaphthalene-1-sulfinamide is sourced from PubChem (CID 142909479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).