1-(benzenesulfonyl)-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]propan-2-amine

C20H25NO3S — CID 128999848

IUPAC1-(benzenesulfonyl)-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]propan-2-amine
SMILESCC(CS(=O)(=O)c1ccccc1)NC[C@H]1CCO[C@@H]1c1ccccc1
InChIInChI=1S/C20H25NO3S/c1-16(15-25(22,23)19-10-6-3-7-11-19)21-14-18-12-13-24-20(18)17-8-4-2-5-9-17/h2-11,16,18,20-21H,12-15H2,1H3/t16?,18-,20-/m1/s1
InChIKeyJCUHRLWHVIVKEZ-PUGIBVIZSA-N
MW359.49 g/mol
LogP3.22
Rot. Bonds7

About 1-(benzenesulfonyl)-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]propan-2-amine

1-(benzenesulfonyl)-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]propan-2-amine (PubChem CID 128999848) has the molecular formula C20H25NO3S and a molecular weight of 359.49 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]propan-2-amine
PubChem CID128999848
Molecular FormulaC20H25NO3S
Molecular Weight359.49 g/mol
Exact Mass359.16
IUPAC Name1-(benzenesulfonyl)-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]propan-2-amine
SMILESCC(CS(=O)(=O)c1ccccc1)NC[C@H]1CCO[C@@H]1c1ccccc1
InChIInChI=1S/C20H25NO3S/c1-16(15-25(22,23)19-10-6-3-7-11-19)21-14-18-12-13-24-20(18)17-8-4-2-5-9-17/h2-11,16,18,20-21H,12-15H2,1H3/t16?,18-,20-/m1/s1
InChIKeyJCUHRLWHVIVKEZ-PUGIBVIZSA-N
XLogP3.22
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.49
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]propan-2-amine?
The IUPAC name of 1-(benzenesulfonyl)-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]propan-2-amine (CID 128999848) is 1-(benzenesulfonyl)-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]propan-2-amine.
What is the SMILES notation for 1-(benzenesulfonyl)-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]propan-2-amine?
The canonical SMILES for 1-(benzenesulfonyl)-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]propan-2-amine is CC(CS(=O)(=O)c1ccccc1)NC[C@H]1CCO[C@@H]1c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]propan-2-amine?
The InChIKey is JCUHRLWHVIVKEZ-PUGIBVIZSA-N. The full InChI is InChI=1S/C20H25NO3S/c1-16(15-25(22,23)19-10-6-3-7-11-19)21-14-18-12-13-24-20(18)17-8-4-2-5-9-17/h2-11,16,18,20-21H,12-15H2,1H3/t16?,18-,20-/m1/s1.
What are the key properties of 1-(benzenesulfonyl)-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]propan-2-amine?
1-(benzenesulfonyl)-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]propan-2-amine has a molecular weight of 359.49 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 128999848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).