1-[(2R)-3-(4-nitrophenyl)sulfonyl-2-pyrrolidin-1-ylpropyl]pyrrolidine

C17H25N3O4S — CID 2209059

IUPAC1-[(2R)-3-(4-nitrophenyl)sulfonyl-2-pyrrolidin-1-ylpropyl]pyrrolidine
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)C[C@@H](CN2CCCC2)N2CCCC2)cc1
InChIInChI=1S/C17H25N3O4S/c21-20(22)15-5-7-17(8-6-15)25(23,24)14-16(19-11-3-4-12-19)13-18-9-1-2-10-18/h5-8,16H,1-4,9-14H2/t16-/m1/s1
InChIKeyBZEKZLWWRJVDTR-MRXNPFEDSA-N
MW367.47 g/mol
LogP1.93
Rot. Bonds7

About 1-[(2R)-3-(4-nitrophenyl)sulfonyl-2-pyrrolidin-1-ylpropyl]pyrrolidine

1-[(2R)-3-(4-nitrophenyl)sulfonyl-2-pyrrolidin-1-ylpropyl]pyrrolidine (PubChem CID 2209059) has the molecular formula C17H25N3O4S and a molecular weight of 367.47 g/mol. Its IUPAC name is 1-[(2R)-3-(4-nitrophenyl)sulfonyl-2-pyrrolidin-1-ylpropyl]pyrrolidine.

Molecular Properties

Compound Name1-[(2R)-3-(4-nitrophenyl)sulfonyl-2-pyrrolidin-1-ylpropyl]pyrrolidine
PubChem CID2209059
Molecular FormulaC17H25N3O4S
Molecular Weight367.47 g/mol
Exact Mass367.16
IUPAC Name1-[(2R)-3-(4-nitrophenyl)sulfonyl-2-pyrrolidin-1-ylpropyl]pyrrolidine
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)C[C@@H](CN2CCCC2)N2CCCC2)cc1
InChIInChI=1S/C17H25N3O4S/c21-20(22)15-5-7-17(8-6-15)25(23,24)14-16(19-11-3-4-12-19)13-18-9-1-2-10-18/h5-8,16H,1-4,9-14H2/t16-/m1/s1
InChIKeyBZEKZLWWRJVDTR-MRXNPFEDSA-N
XLogP1.93
TPSA83.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(3-naphthalen-2-ylsulfonyl-2-pyrrolidin-1-ylpropyl)pyrrolidine
CID 2955483
(3S)-3-methyl-1-[(2S)-1-(4-nitrophenyl)sulfonylpropan-2-yl]piperidine
CID 7376357
4-[1-(4-nitrophenyl)sulfonylpropan-2-yl]morpholine
CID 2928740
1-(4-nitrophenyl)sulfonylpiperidin-2-one
CID 53406269
3-methyl-1-[3-(4-methylphenyl)sulfonyl-2-(3-methylpiperidin-1-yl)propyl]piperidine
CID 4313386
1-(3-bromo-2-methylpropyl)sulfonyl-4-nitrobenzene
CID 64995799
(2S)-1-(4-nitrophenoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 1122027
N-[1-(4-nitrophenyl)ethyl]-1-piperidin-1-ylpropan-2-amine
CID 43749027
1-methyl-4-[2-(4-nitrophenyl)sulfonylethyl]piperazine
CID 75503049
4-nitro-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzenesulfonamide
CID 78786890
1-[2-(4-nitrophenyl)ethyl]pyrrolidine
CID 10536901
(2S)-1-(4-methylphenyl)sulfonyl-3-piperidin-1-ylpropan-2-ol
CID 118527312

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-3-(4-nitrophenyl)sulfonyl-2-pyrrolidin-1-ylpropyl]pyrrolidine?
The IUPAC name of 1-[(2R)-3-(4-nitrophenyl)sulfonyl-2-pyrrolidin-1-ylpropyl]pyrrolidine (CID 2209059) is 1-[(2R)-3-(4-nitrophenyl)sulfonyl-2-pyrrolidin-1-ylpropyl]pyrrolidine.
What is the SMILES notation for 1-[(2R)-3-(4-nitrophenyl)sulfonyl-2-pyrrolidin-1-ylpropyl]pyrrolidine?
The canonical SMILES for 1-[(2R)-3-(4-nitrophenyl)sulfonyl-2-pyrrolidin-1-ylpropyl]pyrrolidine is O=[N+]([O-])c1ccc(S(=O)(=O)C[C@@H](CN2CCCC2)N2CCCC2)cc1.
What is the InChIKey of 1-[(2R)-3-(4-nitrophenyl)sulfonyl-2-pyrrolidin-1-ylpropyl]pyrrolidine?
The InChIKey is BZEKZLWWRJVDTR-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H25N3O4S/c21-20(22)15-5-7-17(8-6-15)25(23,24)14-16(19-11-3-4-12-19)13-18-9-1-2-10-18/h5-8,16H,1-4,9-14H2/t16-/m1/s1.
What are the key properties of 1-[(2R)-3-(4-nitrophenyl)sulfonyl-2-pyrrolidin-1-ylpropyl]pyrrolidine?
1-[(2R)-3-(4-nitrophenyl)sulfonyl-2-pyrrolidin-1-ylpropyl]pyrrolidine has a molecular weight of 367.47 g/mol, XLogP of 1.93, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-3-(4-nitrophenyl)sulfonyl-2-pyrrolidin-1-ylpropyl]pyrrolidine is sourced from PubChem (CID 2209059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).