(2S)-1-(benzenesulfonyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine

C15H22N2O2S — CID 141334069

IUPAC(2S)-1-(benzenesulfonyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine
SMILESO=S(=O)(c1ccccc1)N1CCC[C@H]1CN1CCCC1
InChIInChI=1S/C15H22N2O2S/c18-20(19,15-8-2-1-3-9-15)17-12-6-7-14(17)13-16-10-4-5-11-16/h1-3,8-9,14H,4-7,10-13H2/t14-/m0/s1
InChIKeySPMWVTXFLCHHFJ-AWEZNQCLSA-N
MW294.42 g/mol
LogP1.94
Rot. Bonds4

About (2S)-1-(benzenesulfonyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine

(2S)-1-(benzenesulfonyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine (PubChem CID 141334069) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is (2S)-1-(benzenesulfonyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine.

Molecular Properties

Compound Name(2S)-1-(benzenesulfonyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine
PubChem CID141334069
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name(2S)-1-(benzenesulfonyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine
SMILESO=S(=O)(c1ccccc1)N1CCC[C@H]1CN1CCCC1
InChIInChI=1S/C15H22N2O2S/c18-20(19,15-8-2-1-3-9-15)17-12-6-7-14(17)13-16-10-4-5-11-16/h1-3,8-9,14H,4-7,10-13H2/t14-/m0/s1
InChIKeySPMWVTXFLCHHFJ-AWEZNQCLSA-N
XLogP1.94
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(benzenesulfonyl)-2-(iodomethyl)piperidine
CID 71381040
methyl 4-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]sulfonylbenzoate
CID 52505369
3-[1-(benzenesulfonyl)pyrrolidin-2-yl]propan-1-ol
CID 62469186
2-(benzenesulfonylmethyl)-1-(4-chlorophenyl)sulfonylpyrrolidine
CID 90585721
1-(benzenesulfonyl)pyrrolidin-2-amine
CID 19623298
2-(benzenesulfonylmethyl)-1-(4-tert-butylphenyl)sulfonylpyrrolidine
CID 90585750
4-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]sulfonyl-2,1,3-benzoxadiazole
CID 71916159
2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-N-cycloheptylacetamide
CID 42065160
N'-[[(2S)-1-(benzenesulfonyl)pyrrolidin-2-yl]methyl]-N-ethyloxamide
CID 7286107
(2S)-2-(methoxymethyl)-1-(4-phenylphenyl)sulfonylpyrrolidine
CID 74224270
[(2S)-1-[4-[(4-methylphenyl)carbamoylamino]phenyl]sulfonylpyrrolidin-2-yl]methyl 4-methylbenzenesulfonate;1-(4-methylphenyl)-3-[4-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]sulfonylphenyl]urea
CID 161255000
3-amino-N-[[1-(benzenesulfonyl)piperidin-2-yl]methyl]propanamide
CID 120584763

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(benzenesulfonyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine?
The IUPAC name of (2S)-1-(benzenesulfonyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine (CID 141334069) is (2S)-1-(benzenesulfonyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine.
What is the SMILES notation for (2S)-1-(benzenesulfonyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine?
The canonical SMILES for (2S)-1-(benzenesulfonyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine is O=S(=O)(c1ccccc1)N1CCC[C@H]1CN1CCCC1.
What is the InChIKey of (2S)-1-(benzenesulfonyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine?
The InChIKey is SPMWVTXFLCHHFJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H22N2O2S/c18-20(19,15-8-2-1-3-9-15)17-12-6-7-14(17)13-16-10-4-5-11-16/h1-3,8-9,14H,4-7,10-13H2/t14-/m0/s1.
What are the key properties of (2S)-1-(benzenesulfonyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine?
(2S)-1-(benzenesulfonyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine has a molecular weight of 294.42 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(benzenesulfonyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine is sourced from PubChem (CID 141334069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).