1-(3-naphthalen-2-ylsulfonyl-2-pyrrolidin-1-ylpropyl)pyrrolidine

C21H28N2O2S — CID 2955483

IUPAC1-(3-naphthalen-2-ylsulfonyl-2-pyrrolidin-1-ylpropyl)pyrrolidine
SMILESO=S(=O)(CC(CN1CCCC1)N1CCCC1)c1ccc2ccccc2c1
InChIInChI=1S/C21H28N2O2S/c24-26(25,21-10-9-18-7-1-2-8-19(18)15-21)17-20(23-13-5-6-14-23)16-22-11-3-4-12-22/h1-2,7-10,15,20H,3-6,11-14,16-17H2
InChIKeyLCLHNZWVBURZBA-UHFFFAOYSA-N
MW372.53 g/mol
LogP3.17
Rot. Bonds6

About 1-(3-naphthalen-2-ylsulfonyl-2-pyrrolidin-1-ylpropyl)pyrrolidine

1-(3-naphthalen-2-ylsulfonyl-2-pyrrolidin-1-ylpropyl)pyrrolidine (PubChem CID 2955483) has the molecular formula C21H28N2O2S and a molecular weight of 372.53 g/mol. Its IUPAC name is 1-(3-naphthalen-2-ylsulfonyl-2-pyrrolidin-1-ylpropyl)pyrrolidine.

Molecular Properties

Compound Name1-(3-naphthalen-2-ylsulfonyl-2-pyrrolidin-1-ylpropyl)pyrrolidine
PubChem CID2955483
Molecular FormulaC21H28N2O2S
Molecular Weight372.53 g/mol
Exact Mass372.19
IUPAC Name1-(3-naphthalen-2-ylsulfonyl-2-pyrrolidin-1-ylpropyl)pyrrolidine
SMILESO=S(=O)(CC(CN1CCCC1)N1CCCC1)c1ccc2ccccc2c1
InChIInChI=1S/C21H28N2O2S/c24-26(25,21-10-9-18-7-1-2-8-19(18)15-21)17-20(23-13-5-6-14-23)16-22-11-3-4-12-22/h1-2,7-10,15,20H,3-6,11-14,16-17H2
InChIKeyLCLHNZWVBURZBA-UHFFFAOYSA-N
XLogP3.17
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.53
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2S)-3-naphthalen-2-ylsulfonyl-2-piperidin-1-ylpropyl]piperidine
CID 2211387
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
2-naphthalen-2-ylsulfonyl-1-pyrrolidin-1-ylethanone
CID 851310
1-naphthalen-2-ylsulfonylpyrrolidine
CID 819722
2-(2,2-dimethoxyethylsulfonyl)naphthalene
CID 66223688
1-[(2S)-1-naphthalen-2-ylsulfonylpropan-2-yl]azepan-1-ium
CID 7263273
(2R)-1-amino-3-naphthalen-2-ylsulfonylpropan-2-ol
CID 114243943
(3S)-4-naphthalen-2-ylsulfonyl-3-phenylbutanoic acid
CID 124637863
N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]naphthalene-2-sulfonamide
CID 26542141
(3S)-3-methyl-4-naphthalen-2-ylsulfonylbutan-1-ol
CID 69383125
N-[(2S)-2-(azepan-1-yl)-2-thiophen-3-ylethyl]naphthalene-2-sulfonamide
CID 40863993

Frequently Asked Questions

What is the IUPAC name of 1-(3-naphthalen-2-ylsulfonyl-2-pyrrolidin-1-ylpropyl)pyrrolidine?
The IUPAC name of 1-(3-naphthalen-2-ylsulfonyl-2-pyrrolidin-1-ylpropyl)pyrrolidine (CID 2955483) is 1-(3-naphthalen-2-ylsulfonyl-2-pyrrolidin-1-ylpropyl)pyrrolidine.
What is the SMILES notation for 1-(3-naphthalen-2-ylsulfonyl-2-pyrrolidin-1-ylpropyl)pyrrolidine?
The canonical SMILES for 1-(3-naphthalen-2-ylsulfonyl-2-pyrrolidin-1-ylpropyl)pyrrolidine is O=S(=O)(CC(CN1CCCC1)N1CCCC1)c1ccc2ccccc2c1.
What is the InChIKey of 1-(3-naphthalen-2-ylsulfonyl-2-pyrrolidin-1-ylpropyl)pyrrolidine?
The InChIKey is LCLHNZWVBURZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2S/c24-26(25,21-10-9-18-7-1-2-8-19(18)15-21)17-20(23-13-5-6-14-23)16-22-11-3-4-12-22/h1-2,7-10,15,20H,3-6,11-14,16-17H2.
What are the key properties of 1-(3-naphthalen-2-ylsulfonyl-2-pyrrolidin-1-ylpropyl)pyrrolidine?
1-(3-naphthalen-2-ylsulfonyl-2-pyrrolidin-1-ylpropyl)pyrrolidine has a molecular weight of 372.53 g/mol, XLogP of 3.17, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-naphthalen-2-ylsulfonyl-2-pyrrolidin-1-ylpropyl)pyrrolidine is sourced from PubChem (CID 2955483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).