(2S)-2-(3-phenylpropyl)-4-thiophen-3-ylsulfonylmorpholine

C17H21NO3S2 — CID 26410413

IUPAC(2S)-2-(3-phenylpropyl)-4-thiophen-3-ylsulfonylmorpholine
SMILESO=S(=O)(c1ccsc1)N1CCO[C@@H](CCCc2ccccc2)C1
InChIInChI=1S/C17H21NO3S2/c19-23(20,17-9-12-22-14-17)18-10-11-21-16(13-18)8-4-7-15-5-2-1-3-6-15/h1-3,5-6,9,12,14,16H,4,7-8,10-11,13H2/t16-/m0/s1
InChIKeyYSZPQWPODXGYNT-INIZCTEOSA-N
MW351.49 g/mol
LogP3.16
Rot. Bonds6

About (2S)-2-(3-phenylpropyl)-4-thiophen-3-ylsulfonylmorpholine

(2S)-2-(3-phenylpropyl)-4-thiophen-3-ylsulfonylmorpholine (PubChem CID 26410413) has the molecular formula C17H21NO3S2 and a molecular weight of 351.49 g/mol. Its IUPAC name is (2S)-2-(3-phenylpropyl)-4-thiophen-3-ylsulfonylmorpholine.

Molecular Properties

Compound Name(2S)-2-(3-phenylpropyl)-4-thiophen-3-ylsulfonylmorpholine
PubChem CID26410413
Molecular FormulaC17H21NO3S2
Molecular Weight351.49 g/mol
Exact Mass351.10
IUPAC Name(2S)-2-(3-phenylpropyl)-4-thiophen-3-ylsulfonylmorpholine
SMILESO=S(=O)(c1ccsc1)N1CCO[C@@H](CCCc2ccccc2)C1
InChIInChI=1S/C17H21NO3S2/c19-23(20,17-9-12-22-14-17)18-10-11-21-16(13-18)8-4-7-15-5-2-1-3-6-15/h1-3,5-6,9,12,14,16H,4,7-8,10-11,13H2/t16-/m0/s1
InChIKeyYSZPQWPODXGYNT-INIZCTEOSA-N
XLogP3.16
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-phenylpropyl)-4-thiophen-3-ylsulfonylmorpholine?
The IUPAC name of (2S)-2-(3-phenylpropyl)-4-thiophen-3-ylsulfonylmorpholine (CID 26410413) is (2S)-2-(3-phenylpropyl)-4-thiophen-3-ylsulfonylmorpholine.
What is the SMILES notation for (2S)-2-(3-phenylpropyl)-4-thiophen-3-ylsulfonylmorpholine?
The canonical SMILES for (2S)-2-(3-phenylpropyl)-4-thiophen-3-ylsulfonylmorpholine is O=S(=O)(c1ccsc1)N1CCO[C@@H](CCCc2ccccc2)C1.
What is the InChIKey of (2S)-2-(3-phenylpropyl)-4-thiophen-3-ylsulfonylmorpholine?
The InChIKey is YSZPQWPODXGYNT-INIZCTEOSA-N. The full InChI is InChI=1S/C17H21NO3S2/c19-23(20,17-9-12-22-14-17)18-10-11-21-16(13-18)8-4-7-15-5-2-1-3-6-15/h1-3,5-6,9,12,14,16H,4,7-8,10-11,13H2/t16-/m0/s1.
What are the key properties of (2S)-2-(3-phenylpropyl)-4-thiophen-3-ylsulfonylmorpholine?
(2S)-2-(3-phenylpropyl)-4-thiophen-3-ylsulfonylmorpholine has a molecular weight of 351.49 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-phenylpropyl)-4-thiophen-3-ylsulfonylmorpholine is sourced from PubChem (CID 26410413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).