(3R)-3-hydroxy-N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]thiolane-3-carboxamide

C16H21NO3S — CID 129400490

IUPAC(3R)-3-hydroxy-N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]thiolane-3-carboxamide
SMILESO=C(NC[C@@H]1CCO[C@H]1c1ccccc1)[C@]1(O)CCSC1
InChIInChI=1S/C16H21NO3S/c18-15(16(19)7-9-21-11-16)17-10-13-6-8-20-14(13)12-4-2-1-3-5-12/h1-5,13-14,19H,6-11H2,(H,17,18)/t13-,14-,16-/m0/s1
InChIKeyOGNNSYHGUZDHKW-DZKIICNBSA-N
MW307.41 g/mol
LogP1.75
Rot. Bonds4

About (3R)-3-hydroxy-N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]thiolane-3-carboxamide

(3R)-3-hydroxy-N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]thiolane-3-carboxamide (PubChem CID 129400490) has the molecular formula C16H21NO3S and a molecular weight of 307.41 g/mol. Its IUPAC name is (3R)-3-hydroxy-N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]thiolane-3-carboxamide.

Molecular Properties

Compound Name(3R)-3-hydroxy-N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]thiolane-3-carboxamide
PubChem CID129400490
Molecular FormulaC16H21NO3S
Molecular Weight307.41 g/mol
Exact Mass307.12
IUPAC Name(3R)-3-hydroxy-N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]thiolane-3-carboxamide
SMILESO=C(NC[C@@H]1CCO[C@H]1c1ccccc1)[C@]1(O)CCSC1
InChIInChI=1S/C16H21NO3S/c18-15(16(19)7-9-21-11-16)17-10-13-6-8-20-14(13)12-4-2-1-3-5-12/h1-5,13-14,19H,6-11H2,(H,17,18)/t13-,14-,16-/m0/s1
InChIKeyOGNNSYHGUZDHKW-DZKIICNBSA-N
XLogP1.75
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.41
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]thiolane-3-carboxamide?
The IUPAC name of (3R)-3-hydroxy-N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]thiolane-3-carboxamide (CID 129400490) is (3R)-3-hydroxy-N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]thiolane-3-carboxamide.
What is the SMILES notation for (3R)-3-hydroxy-N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]thiolane-3-carboxamide?
The canonical SMILES for (3R)-3-hydroxy-N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]thiolane-3-carboxamide is O=C(NC[C@@H]1CCO[C@H]1c1ccccc1)[C@]1(O)CCSC1.
What is the InChIKey of (3R)-3-hydroxy-N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]thiolane-3-carboxamide?
The InChIKey is OGNNSYHGUZDHKW-DZKIICNBSA-N. The full InChI is InChI=1S/C16H21NO3S/c18-15(16(19)7-9-21-11-16)17-10-13-6-8-20-14(13)12-4-2-1-3-5-12/h1-5,13-14,19H,6-11H2,(H,17,18)/t13-,14-,16-/m0/s1.
What are the key properties of (3R)-3-hydroxy-N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]thiolane-3-carboxamide?
(3R)-3-hydroxy-N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]thiolane-3-carboxamide has a molecular weight of 307.41 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]thiolane-3-carboxamide is sourced from PubChem (CID 129400490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).