(2S)-2-benzyl-4-pyrrolidin-1-ylsulfonylmorpholine

C15H22N2O3S — CID 28732849

IUPAC(2S)-2-benzyl-4-pyrrolidin-1-ylsulfonylmorpholine
SMILESO=S(=O)(N1CCCC1)N1CCO[C@@H](Cc2ccccc2)C1
InChIInChI=1S/C15H22N2O3S/c18-21(19,16-8-4-5-9-16)17-10-11-20-15(13-17)12-14-6-2-1-3-7-14/h1-3,6-7,15H,4-5,8-13H2/t15-/m0/s1
InChIKeyGZDLABVZQAVHAJ-HNNXBMFYSA-N
MW310.42 g/mol
LogP1.27
Rot. Bonds4

About (2S)-2-benzyl-4-pyrrolidin-1-ylsulfonylmorpholine

(2S)-2-benzyl-4-pyrrolidin-1-ylsulfonylmorpholine (PubChem CID 28732849) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is (2S)-2-benzyl-4-pyrrolidin-1-ylsulfonylmorpholine.

Molecular Properties

Compound Name(2S)-2-benzyl-4-pyrrolidin-1-ylsulfonylmorpholine
PubChem CID28732849
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name(2S)-2-benzyl-4-pyrrolidin-1-ylsulfonylmorpholine
SMILESO=S(=O)(N1CCCC1)N1CCO[C@@H](Cc2ccccc2)C1
InChIInChI=1S/C15H22N2O3S/c18-21(19,16-8-4-5-9-16)17-10-11-20-15(13-17)12-14-6-2-1-3-7-14/h1-3,6-7,15H,4-5,8-13H2/t15-/m0/s1
InChIKeyGZDLABVZQAVHAJ-HNNXBMFYSA-N
XLogP1.27
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzyl-4-benzylsulfonylmorpholine
CID 71801614
2-benzyl-4-(2-phenylethylsulfonyl)morpholine
CID 110643972
2-benzyl-4-(4-fluorophenyl)sulfonylmorpholine
CID 110643937
2-benzyl-4-(4-methoxyphenyl)sulfonylmorpholine
CID 110643940
(2S)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)-4-piperidin-1-ylsulfonylmorpholine
CID 97344792
2-(5-phenyl-1,2,4-oxadiazol-3-yl)-4-piperidin-1-ylsulfonylmorpholine
CID 75474712
(2S)-4-piperidin-1-ylsulfonylmorpholine-2-carboxamide
CID 94381384
(2R)-4-(benzenesulfonyl)-2-(2-phenylethyl)morpholine
CID 25279605
(2R)-2-ethyl-4-morpholin-4-ylsulfonylmorpholine
CID 95288562
(2R)-2-benzyl-4-(4-ethylsulfonylphenyl)morpholine
CID 125138388
2-(bromomethyl)-4-(2-phenylethylsulfonyl)morpholine
CID 81211671
1-(4-benzylpiperidin-1-yl)sulfonyl-3-methylpiperidine
CID 75872723

Frequently Asked Questions

What is the IUPAC name of (2S)-2-benzyl-4-pyrrolidin-1-ylsulfonylmorpholine?
The IUPAC name of (2S)-2-benzyl-4-pyrrolidin-1-ylsulfonylmorpholine (CID 28732849) is (2S)-2-benzyl-4-pyrrolidin-1-ylsulfonylmorpholine.
What is the SMILES notation for (2S)-2-benzyl-4-pyrrolidin-1-ylsulfonylmorpholine?
The canonical SMILES for (2S)-2-benzyl-4-pyrrolidin-1-ylsulfonylmorpholine is O=S(=O)(N1CCCC1)N1CCO[C@@H](Cc2ccccc2)C1.
What is the InChIKey of (2S)-2-benzyl-4-pyrrolidin-1-ylsulfonylmorpholine?
The InChIKey is GZDLABVZQAVHAJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c18-21(19,16-8-4-5-9-16)17-10-11-20-15(13-17)12-14-6-2-1-3-7-14/h1-3,6-7,15H,4-5,8-13H2/t15-/m0/s1.
What are the key properties of (2S)-2-benzyl-4-pyrrolidin-1-ylsulfonylmorpholine?
(2S)-2-benzyl-4-pyrrolidin-1-ylsulfonylmorpholine has a molecular weight of 310.42 g/mol, XLogP of 1.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-benzyl-4-pyrrolidin-1-ylsulfonylmorpholine is sourced from PubChem (CID 28732849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).