N-[1-[(1S)-1-naphthalen-2-ylethyl]piperidin-4-yl]propane-1-sulfonamide

C20H28N2O2S — CID 95307376

IUPACN-[1-[(1S)-1-naphthalen-2-ylethyl]piperidin-4-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1CCN([C@@H](C)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C20H28N2O2S/c1-3-14-25(23,24)21-20-10-12-22(13-11-20)16(2)18-9-8-17-6-4-5-7-19(17)15-18/h4-9,15-16,20-21H,3,10-14H2,1-2H3/t16-/m0/s1
InChIKeyKFELUJACWIDUKD-INIZCTEOSA-N
MW360.52 g/mol
LogP3.69
Rot. Bonds6

About N-[1-[(1S)-1-naphthalen-2-ylethyl]piperidin-4-yl]propane-1-sulfonamide

N-[1-[(1S)-1-naphthalen-2-ylethyl]piperidin-4-yl]propane-1-sulfonamide (PubChem CID 95307376) has the molecular formula C20H28N2O2S and a molecular weight of 360.52 g/mol. Its IUPAC name is N-[1-[(1S)-1-naphthalen-2-ylethyl]piperidin-4-yl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-[(1S)-1-naphthalen-2-ylethyl]piperidin-4-yl]propane-1-sulfonamide
PubChem CID95307376
Molecular FormulaC20H28N2O2S
Molecular Weight360.52 g/mol
Exact Mass360.19
IUPAC NameN-[1-[(1S)-1-naphthalen-2-ylethyl]piperidin-4-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1CCN([C@@H](C)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C20H28N2O2S/c1-3-14-25(23,24)21-20-10-12-22(13-11-20)16(2)18-9-8-17-6-4-5-7-19(17)15-18/h4-9,15-16,20-21H,3,10-14H2,1-2H3/t16-/m0/s1
InChIKeyKFELUJACWIDUKD-INIZCTEOSA-N
XLogP3.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.52
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-[(1S)-1-naphthalen-2-ylethyl]piperidin-4-yl]propane-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

N-[[1-(1-naphthalen-2-ylethyl)piperidin-4-yl]methyl]ethanamine
CID 119927809
N-[1-[(1R)-1-naphthalen-2-ylethyl]piperidin-4-yl]benzamide
CID 51966883
N-methyl-1-[1-(1-naphthalen-2-ylethyl)piperidin-4-yl]methanamine;hydrochloride
CID 119922301
1-(1-naphthalen-2-ylethyl)piperidin-4-amine;hydrochloride
CID 119907327
N-cyclopropyl-1-[(1R)-1-naphthalen-2-ylethyl]piperidine-4-carboxamide
CID 94651891
1-(1-naphthalen-2-ylethyl)piperidine-4-carboxylic acid
CID 65054272
1-[(1R)-1-naphthalen-2-ylethyl]piperazine
CID 93464443
1-[1-[(1R)-1-naphthalen-2-ylethyl]piperidin-4-yl]imidazolidin-2-one
CID 94646190
[4-methyl-1-(1-naphthalen-2-ylethyl)piperidin-3-yl]methanamine
CID 114959925
2-(4-fluorophenyl)-2-[4-(propylsulfonylamino)piperidin-1-yl]acetic acid
CID 136550246
N-(1-propan-2-ylpiperidin-4-yl)butane-1-sulfonamide
CID 22772688
3-(1-naphthalen-2-ylethyl)-3,9-diazabicyclo[4.2.1]nonane
CID 81495302

Frequently Asked Questions

What is the IUPAC name of N-[1-[(1S)-1-naphthalen-2-ylethyl]piperidin-4-yl]propane-1-sulfonamide?
The IUPAC name of N-[1-[(1S)-1-naphthalen-2-ylethyl]piperidin-4-yl]propane-1-sulfonamide (CID 95307376) is N-[1-[(1S)-1-naphthalen-2-ylethyl]piperidin-4-yl]propane-1-sulfonamide.
What is the SMILES notation for N-[1-[(1S)-1-naphthalen-2-ylethyl]piperidin-4-yl]propane-1-sulfonamide?
The canonical SMILES for N-[1-[(1S)-1-naphthalen-2-ylethyl]piperidin-4-yl]propane-1-sulfonamide is CCCS(=O)(=O)NC1CCN([C@@H](C)c2ccc3ccccc3c2)CC1.
What is the InChIKey of N-[1-[(1S)-1-naphthalen-2-ylethyl]piperidin-4-yl]propane-1-sulfonamide?
The InChIKey is KFELUJACWIDUKD-INIZCTEOSA-N. The full InChI is InChI=1S/C20H28N2O2S/c1-3-14-25(23,24)21-20-10-12-22(13-11-20)16(2)18-9-8-17-6-4-5-7-19(17)15-18/h4-9,15-16,20-21H,3,10-14H2,1-2H3/t16-/m0/s1.
What are the key properties of N-[1-[(1S)-1-naphthalen-2-ylethyl]piperidin-4-yl]propane-1-sulfonamide?
N-[1-[(1S)-1-naphthalen-2-ylethyl]piperidin-4-yl]propane-1-sulfonamide has a molecular weight of 360.52 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(1S)-1-naphthalen-2-ylethyl]piperidin-4-yl]propane-1-sulfonamide is sourced from PubChem (CID 95307376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).