(2R)-1-[[(2S)-oxolan-2-yl]methyl-(thiophen-3-ylmethyl)amino]-3-phenoxypropan-2-ol

C19H25NO3S — CID 93147229

IUPAC(2R)-1-[[(2S)-oxolan-2-yl]methyl-(thiophen-3-ylmethyl)amino]-3-phenoxypropan-2-ol
SMILESO[C@@H](COc1ccccc1)CN(Cc1ccsc1)C[C@@H]1CCCO1
InChIInChI=1S/C19H25NO3S/c21-17(14-23-18-5-2-1-3-6-18)12-20(11-16-8-10-24-15-16)13-19-7-4-9-22-19/h1-3,5-6,8,10,15,17,19,21H,4,7,9,11-14H2/t17-,19+/m1/s1
InChIKeyNYAVOSVHFVJYGJ-MJGOQNOKSA-N
MW347.48 g/mol
LogP3.17
Rot. Bonds9

About (2R)-1-[[(2S)-oxolan-2-yl]methyl-(thiophen-3-ylmethyl)amino]-3-phenoxypropan-2-ol

(2R)-1-[[(2S)-oxolan-2-yl]methyl-(thiophen-3-ylmethyl)amino]-3-phenoxypropan-2-ol (PubChem CID 93147229) has the molecular formula C19H25NO3S and a molecular weight of 347.48 g/mol. Its IUPAC name is (2R)-1-[[(2S)-oxolan-2-yl]methyl-(thiophen-3-ylmethyl)amino]-3-phenoxypropan-2-ol.

Molecular Properties

Compound Name(2R)-1-[[(2S)-oxolan-2-yl]methyl-(thiophen-3-ylmethyl)amino]-3-phenoxypropan-2-ol
PubChem CID93147229
Molecular FormulaC19H25NO3S
Molecular Weight347.48 g/mol
Exact Mass347.16
IUPAC Name(2R)-1-[[(2S)-oxolan-2-yl]methyl-(thiophen-3-ylmethyl)amino]-3-phenoxypropan-2-ol
SMILESO[C@@H](COc1ccccc1)CN(Cc1ccsc1)C[C@@H]1CCCO1
InChIInChI=1S/C19H25NO3S/c21-17(14-23-18-5-2-1-3-6-18)12-20(11-16-8-10-24-15-16)13-19-7-4-9-22-19/h1-3,5-6,8,10,15,17,19,21H,4,7,9,11-14H2/t17-,19+/m1/s1
InChIKeyNYAVOSVHFVJYGJ-MJGOQNOKSA-N
XLogP3.17
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-1-[[(2S)-oxolan-2-yl]methyl-(thiophen-3-ylmethyl)amino]-3-phenoxypropan-2-ol with MolForge

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Related Compounds

(2R)-1-[benzyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-phenoxypropan-2-ol
CID 129419580
(2S)-1-[(4-fluorophenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]-3-phenoxypropan-2-ol
CID 93099028
(2S)-1-[(3-methylphenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]-3-phenoxypropan-2-ol
CID 93163081
(2R)-1-[(2-methylphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-phenoxypropan-2-ol
CID 129428443
1-[oxolan-2-ylmethyl(thiophen-2-ylmethyl)amino]-3-(4-phenylphenoxy)propan-2-ol
CID 18267024
(2R)-1-[2-methylpropyl(thiophen-3-ylmethyl)amino]-3-phenoxypropan-2-ol
CID 93162445
(2S)-1-[(3-methoxyphenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]-3-phenylmethoxypropan-2-ol
CID 93162908
1-[benzyl(oxolan-2-ylmethyl)amino]-3-(2-methylpropoxy)propan-2-ol
CID 24713650
2-methyl-1-[[(2R)-oxolan-2-yl]methyl-(thiophen-3-ylmethyl)amino]propan-2-ol
CID 93166076
(2R)-1-(2-methylphenoxy)-3-[(4-methylphenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]propan-2-ol
CID 98688528
(2R)-1-[benzyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 129423111
(2R)-1-[(3-methoxyphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-propan-2-yloxypropan-2-ol
CID 129423214

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[(2S)-oxolan-2-yl]methyl-(thiophen-3-ylmethyl)amino]-3-phenoxypropan-2-ol?
The IUPAC name of (2R)-1-[[(2S)-oxolan-2-yl]methyl-(thiophen-3-ylmethyl)amino]-3-phenoxypropan-2-ol (CID 93147229) is (2R)-1-[[(2S)-oxolan-2-yl]methyl-(thiophen-3-ylmethyl)amino]-3-phenoxypropan-2-ol.
What is the SMILES notation for (2R)-1-[[(2S)-oxolan-2-yl]methyl-(thiophen-3-ylmethyl)amino]-3-phenoxypropan-2-ol?
The canonical SMILES for (2R)-1-[[(2S)-oxolan-2-yl]methyl-(thiophen-3-ylmethyl)amino]-3-phenoxypropan-2-ol is O[C@@H](COc1ccccc1)CN(Cc1ccsc1)C[C@@H]1CCCO1.
What is the InChIKey of (2R)-1-[[(2S)-oxolan-2-yl]methyl-(thiophen-3-ylmethyl)amino]-3-phenoxypropan-2-ol?
The InChIKey is NYAVOSVHFVJYGJ-MJGOQNOKSA-N. The full InChI is InChI=1S/C19H25NO3S/c21-17(14-23-18-5-2-1-3-6-18)12-20(11-16-8-10-24-15-16)13-19-7-4-9-22-19/h1-3,5-6,8,10,15,17,19,21H,4,7,9,11-14H2/t17-,19+/m1/s1.
What are the key properties of (2R)-1-[[(2S)-oxolan-2-yl]methyl-(thiophen-3-ylmethyl)amino]-3-phenoxypropan-2-ol?
(2R)-1-[[(2S)-oxolan-2-yl]methyl-(thiophen-3-ylmethyl)amino]-3-phenoxypropan-2-ol has a molecular weight of 347.48 g/mol, XLogP of 3.17, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[(2S)-oxolan-2-yl]methyl-(thiophen-3-ylmethyl)amino]-3-phenoxypropan-2-ol is sourced from PubChem (CID 93147229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).