1-[(2S)-3-naphthalen-2-ylsulfonyl-2-piperidin-1-ylpropyl]piperidine

C23H32N2O2S — CID 2211387

IUPAC1-[(2S)-3-naphthalen-2-ylsulfonyl-2-piperidin-1-ylpropyl]piperidine
SMILESO=S(=O)(C[C@H](CN1CCCCC1)N1CCCCC1)c1ccc2ccccc2c1
InChIInChI=1S/C23H32N2O2S/c26-28(27,23-12-11-20-9-3-4-10-21(20)17-23)19-22(25-15-7-2-8-16-25)18-24-13-5-1-6-14-24/h3-4,9-12,17,22H,1-2,5-8,13-16,18-19H2/t22-/m0/s1
InChIKeyGJUQNXFCNZTWKL-QFIPXVFZSA-N
MW400.59 g/mol
LogP3.95
Rot. Bonds6

About 1-[(2S)-3-naphthalen-2-ylsulfonyl-2-piperidin-1-ylpropyl]piperidine

1-[(2S)-3-naphthalen-2-ylsulfonyl-2-piperidin-1-ylpropyl]piperidine (PubChem CID 2211387) has the molecular formula C23H32N2O2S and a molecular weight of 400.59 g/mol. Its IUPAC name is 1-[(2S)-3-naphthalen-2-ylsulfonyl-2-piperidin-1-ylpropyl]piperidine.

Molecular Properties

Compound Name1-[(2S)-3-naphthalen-2-ylsulfonyl-2-piperidin-1-ylpropyl]piperidine
PubChem CID2211387
Molecular FormulaC23H32N2O2S
Molecular Weight400.59 g/mol
Exact Mass400.22
IUPAC Name1-[(2S)-3-naphthalen-2-ylsulfonyl-2-piperidin-1-ylpropyl]piperidine
SMILESO=S(=O)(C[C@H](CN1CCCCC1)N1CCCCC1)c1ccc2ccccc2c1
InChIInChI=1S/C23H32N2O2S/c26-28(27,23-12-11-20-9-3-4-10-21(20)17-23)19-22(25-15-7-2-8-16-25)18-24-13-5-1-6-14-24/h3-4,9-12,17,22H,1-2,5-8,13-16,18-19H2/t22-/m0/s1
InChIKeyGJUQNXFCNZTWKL-QFIPXVFZSA-N
XLogP3.95
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.59
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-naphthalen-2-ylsulfonyl-2-pyrrolidin-1-ylpropyl)pyrrolidine
CID 2955483
1-[(2R)-3-(4-nitrophenyl)sulfonyl-2-pyrrolidin-1-ylpropyl]pyrrolidine
CID 2209059
N-(2-hydroxy-3-piperidin-1-ylpropyl)-N-phenylnaphthalene-2-sulfonamide
CID 3293139
1-[(2S)-1-naphthalen-2-ylsulfonylpropan-2-yl]azepan-1-ium
CID 7263273
2-naphthalen-2-ylsulfonyl-1-pyrrolidin-1-ylethanone
CID 851310
1-naphthalen-2-ylsulfonylpyrrolidine
CID 819722
2-(2,2-dimethoxyethylsulfonyl)naphthalene
CID 66223688
N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]naphthalene-2-sulfonamide
CID 26542141
(2R)-1-amino-3-naphthalen-2-ylsulfonylpropan-2-ol
CID 114243943
1-(2-chloro-2-naphthalen-2-ylethyl)piperidine
CID 82214628
N-[(2S)-2-(azepan-1-yl)-2-thiophen-3-ylethyl]naphthalene-2-sulfonamide
CID 40863993
(3S)-4-naphthalen-2-ylsulfonyl-3-phenylbutanoic acid
CID 124637863

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-3-naphthalen-2-ylsulfonyl-2-piperidin-1-ylpropyl]piperidine?
The IUPAC name of 1-[(2S)-3-naphthalen-2-ylsulfonyl-2-piperidin-1-ylpropyl]piperidine (CID 2211387) is 1-[(2S)-3-naphthalen-2-ylsulfonyl-2-piperidin-1-ylpropyl]piperidine.
What is the SMILES notation for 1-[(2S)-3-naphthalen-2-ylsulfonyl-2-piperidin-1-ylpropyl]piperidine?
The canonical SMILES for 1-[(2S)-3-naphthalen-2-ylsulfonyl-2-piperidin-1-ylpropyl]piperidine is O=S(=O)(C[C@H](CN1CCCCC1)N1CCCCC1)c1ccc2ccccc2c1.
What is the InChIKey of 1-[(2S)-3-naphthalen-2-ylsulfonyl-2-piperidin-1-ylpropyl]piperidine?
The InChIKey is GJUQNXFCNZTWKL-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H32N2O2S/c26-28(27,23-12-11-20-9-3-4-10-21(20)17-23)19-22(25-15-7-2-8-16-25)18-24-13-5-1-6-14-24/h3-4,9-12,17,22H,1-2,5-8,13-16,18-19H2/t22-/m0/s1.
What are the key properties of 1-[(2S)-3-naphthalen-2-ylsulfonyl-2-piperidin-1-ylpropyl]piperidine?
1-[(2S)-3-naphthalen-2-ylsulfonyl-2-piperidin-1-ylpropyl]piperidine has a molecular weight of 400.59 g/mol, XLogP of 3.95, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-3-naphthalen-2-ylsulfonyl-2-piperidin-1-ylpropyl]piperidine is sourced from PubChem (CID 2211387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).