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

C20H25NO3S — CID 129331258

IUPAC(2S)-1-(benzenesulfonyl)-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]propan-2-amine
SMILESC[C@@H](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+/m0/s1
InChIKeyJCUHRLWHVIVKEZ-ILZDJORESA-N
MW359.49 g/mol
LogP3.22
Rot. Bonds7

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

(2S)-1-(benzenesulfonyl)-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]propan-2-amine (PubChem CID 129331258) has the molecular formula C20H25NO3S and a molecular weight of 359.49 g/mol. Its IUPAC name is (2S)-1-(benzenesulfonyl)-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name(2S)-1-(benzenesulfonyl)-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]propan-2-amine
PubChem CID129331258
Molecular FormulaC20H25NO3S
Molecular Weight359.49 g/mol
Exact Mass359.16
IUPAC Name(2S)-1-(benzenesulfonyl)-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]propan-2-amine
SMILESC[C@@H](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+/m0/s1
InChIKeyJCUHRLWHVIVKEZ-ILZDJORESA-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 (2S)-1-(benzenesulfonyl)-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]propan-2-amine?
The IUPAC name of (2S)-1-(benzenesulfonyl)-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]propan-2-amine (CID 129331258) is (2S)-1-(benzenesulfonyl)-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]propan-2-amine.
What is the SMILES notation for (2S)-1-(benzenesulfonyl)-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]propan-2-amine?
The canonical SMILES for (2S)-1-(benzenesulfonyl)-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]propan-2-amine is C[C@@H](CS(=O)(=O)c1ccccc1)NC[C@H]1CCO[C@@H]1c1ccccc1.
What is the InChIKey of (2S)-1-(benzenesulfonyl)-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]propan-2-amine?
The InChIKey is JCUHRLWHVIVKEZ-ILZDJORESA-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+/m0/s1.
What are the key properties of (2S)-1-(benzenesulfonyl)-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]propan-2-amine?
(2S)-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 (2S)-1-(benzenesulfonyl)-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 129331258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).