N-[(2R)-3-[(2R,6E)-2-ethyl-6-ethylidenepiperidin-1-yl]-2-hydroxypropyl]naphthalene-1-sulfonamide

C22H30N2O3S — CID 142260025

IUPACN-[(2R)-3-[(2R,6E)-2-ethyl-6-ethylidenepiperidin-1-yl]-2-hydroxypropyl]naphthalene-1-sulfonamide
SMILESC/C=C1\CCC[C@@H](CC)N1C[C@@H](O)CNS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C22H30N2O3S/c1-3-18-11-8-12-19(4-2)24(18)16-20(25)15-23-28(26,27)22-14-7-10-17-9-5-6-13-21(17)22/h3,5-7,9-10,13-14,19-20,23,25H,4,8,11-12,15-16H2,1-2H3/b18-3+/t19-,20+/m1/s1
InChIKeyXRAPMPTUSZFWQT-DBXQHOPDSA-N
MW402.56 g/mol
LogP3.65
Rot. Bonds7

About N-[(2R)-3-[(2R,6E)-2-ethyl-6-ethylidenepiperidin-1-yl]-2-hydroxypropyl]naphthalene-1-sulfonamide

N-[(2R)-3-[(2R,6E)-2-ethyl-6-ethylidenepiperidin-1-yl]-2-hydroxypropyl]naphthalene-1-sulfonamide (PubChem CID 142260025) has the molecular formula C22H30N2O3S and a molecular weight of 402.56 g/mol. Its IUPAC name is N-[(2R)-3-[(2R,6E)-2-ethyl-6-ethylidenepiperidin-1-yl]-2-hydroxypropyl]naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-[(2R)-3-[(2R,6E)-2-ethyl-6-ethylidenepiperidin-1-yl]-2-hydroxypropyl]naphthalene-1-sulfonamide
PubChem CID142260025
Molecular FormulaC22H30N2O3S
Molecular Weight402.56 g/mol
Exact Mass402.20
IUPAC NameN-[(2R)-3-[(2R,6E)-2-ethyl-6-ethylidenepiperidin-1-yl]-2-hydroxypropyl]naphthalene-1-sulfonamide
SMILESC/C=C1\CCC[C@@H](CC)N1C[C@@H](O)CNS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C22H30N2O3S/c1-3-18-11-8-12-19(4-2)24(18)16-20(25)15-23-28(26,27)22-14-7-10-17-9-5-6-13-21(17)22/h3,5-7,9-10,13-14,19-20,23,25H,4,8,11-12,15-16H2,1-2H3/b18-3+/t19-,20+/m1/s1
InChIKeyXRAPMPTUSZFWQT-DBXQHOPDSA-N
XLogP3.65
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.56
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2R)-3-[(2R,6E)-2-ethyl-6-ethylidenepiperidin-1-yl]-2-hydroxypropyl]naphthalene-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

Related Compounds

(3H)SB-733993
CID 73755092
N-[(2R)-3-[tert-butyl(propyl)amino]-2-hydroxypropyl]naphthalene-1-sulfonamide
CID 10193969
N-[(2R)-3-(2,5-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]naphthalene-1-sulfonamide
CID 10286974
N-[(2R)-2-hydroxy-3-(2-methylpyrrolidin-1-yl)propyl]naphthalene-1-sulfonamide
CID 44439739
N-[(2R)-2-hydroxy-3-(2-propan-2-ylpyrrolidin-1-yl)propyl]naphthalene-1-sulfonamide
CID 44439740
N-[(2R)-3-(2-tert-butylpyrrolidin-1-yl)-2-hydroxypropyl]naphthalene-1-sulfonamide
CID 44439741
N-[(2R)-3-(2-cyclopropylpyrrolidin-1-yl)-2-hydroxypropyl]naphthalene-1-sulfonamide
CID 44439742
N-[(2R)-2-hydroxy-3-(2-methylpiperidin-1-yl)propyl]naphthalene-1-sulfonamide
CID 44439789
N-[(2R)-3-[(2S)-2-ethylpiperidin-1-yl]-2-hydroxypropyl]naphthalene-1-sulfonamide
CID 44439791
N-[(2R)-2-hydroxy-3-(2-propan-2-ylpiperidin-1-yl)propyl]naphthalene-1-sulfonamide
CID 44439792
N-[(2R)-3-(5-ethyl-2-methylpiperidin-1-yl)-2-hydroxypropyl]naphthalene-1-sulfonamide
CID 44439794
N-methyl-N-(1-methylpiperidin-4-yl)naphthalene-1-sulfonamide
CID 3852202

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-[(2R,6E)-2-ethyl-6-ethylidenepiperidin-1-yl]-2-hydroxypropyl]naphthalene-1-sulfonamide?
The IUPAC name of N-[(2R)-3-[(2R,6E)-2-ethyl-6-ethylidenepiperidin-1-yl]-2-hydroxypropyl]naphthalene-1-sulfonamide (CID 142260025) is N-[(2R)-3-[(2R,6E)-2-ethyl-6-ethylidenepiperidin-1-yl]-2-hydroxypropyl]naphthalene-1-sulfonamide.
What is the SMILES notation for N-[(2R)-3-[(2R,6E)-2-ethyl-6-ethylidenepiperidin-1-yl]-2-hydroxypropyl]naphthalene-1-sulfonamide?
The canonical SMILES for N-[(2R)-3-[(2R,6E)-2-ethyl-6-ethylidenepiperidin-1-yl]-2-hydroxypropyl]naphthalene-1-sulfonamide is C/C=C1\CCC[C@@H](CC)N1C[C@@H](O)CNS(=O)(=O)c1cccc2ccccc12.
What is the InChIKey of N-[(2R)-3-[(2R,6E)-2-ethyl-6-ethylidenepiperidin-1-yl]-2-hydroxypropyl]naphthalene-1-sulfonamide?
The InChIKey is XRAPMPTUSZFWQT-DBXQHOPDSA-N. The full InChI is InChI=1S/C22H30N2O3S/c1-3-18-11-8-12-19(4-2)24(18)16-20(25)15-23-28(26,27)22-14-7-10-17-9-5-6-13-21(17)22/h3,5-7,9-10,13-14,19-20,23,25H,4,8,11-12,15-16H2,1-2H3/b18-3+/t19-,20+/m1/s1.
What are the key properties of N-[(2R)-3-[(2R,6E)-2-ethyl-6-ethylidenepiperidin-1-yl]-2-hydroxypropyl]naphthalene-1-sulfonamide?
N-[(2R)-3-[(2R,6E)-2-ethyl-6-ethylidenepiperidin-1-yl]-2-hydroxypropyl]naphthalene-1-sulfonamide has a molecular weight of 402.56 g/mol, XLogP of 3.65, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-[(2R,6E)-2-ethyl-6-ethylidenepiperidin-1-yl]-2-hydroxypropyl]naphthalene-1-sulfonamide is sourced from PubChem (CID 142260025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).