1,3-bis(phenylmethoxy)propan-2-yl (2S)-1-[(6-morpholin-4-yl-3-pyridinyl)sulfamoyl]piperidine-2-carboxylate

C32H40N4O7S — CID 10232858

IUPAC1,3-bis(phenylmethoxy)propan-2-yl (2S)-1-[(6-morpholin-4-yl-3-pyridinyl)sulfamoyl]piperidine-2-carboxylate
SMILESO=C(OC(COCc1ccccc1)COCc1ccccc1)[C@@H]1CCCCN1S(=O)(=O)Nc1ccc(N2CCOCC2)nc1
InChIInChI=1S/C32H40N4O7S/c37-32(43-29(24-41-22-26-9-3-1-4-10-26)25-42-23-27-11-5-2-6-12-27)30-13-7-8-16-36(30)44(38,39)34-28-14-15-31(33-21-28)35-17-19-40-20-18-35/h1-6,9-12,14-15,21,29-30,34H,7-8,13,16-20,22-25H2/t30-/m0/s1
InChIKeyYICLOPVYPHUOTG-PMERELPUSA-N
MW624.76 g/mol
LogP3.77
Rot. Bonds14

About 1,3-bis(phenylmethoxy)propan-2-yl (2S)-1-[(6-morpholin-4-yl-3-pyridinyl)sulfamoyl]piperidine-2-carboxylate

1,3-bis(phenylmethoxy)propan-2-yl (2S)-1-[(6-morpholin-4-yl-3-pyridinyl)sulfamoyl]piperidine-2-carboxylate (PubChem CID 10232858) has the molecular formula C32H40N4O7S and a molecular weight of 624.76 g/mol. Its IUPAC name is 1,3-bis(phenylmethoxy)propan-2-yl (2S)-1-[(6-morpholin-4-yl-3-pyridinyl)sulfamoyl]piperidine-2-carboxylate.

Molecular Properties

Compound Name1,3-bis(phenylmethoxy)propan-2-yl (2S)-1-[(6-morpholin-4-yl-3-pyridinyl)sulfamoyl]piperidine-2-carboxylate
PubChem CID10232858
Molecular FormulaC32H40N4O7S
Molecular Weight624.76 g/mol
Exact Mass624.26
IUPAC Name1,3-bis(phenylmethoxy)propan-2-yl (2S)-1-[(6-morpholin-4-yl-3-pyridinyl)sulfamoyl]piperidine-2-carboxylate
SMILESO=C(OC(COCc1ccccc1)COCc1ccccc1)[C@@H]1CCCCN1S(=O)(=O)Nc1ccc(N2CCOCC2)nc1
InChIInChI=1S/C32H40N4O7S/c37-32(43-29(24-41-22-26-9-3-1-4-10-26)25-42-23-27-11-5-2-6-12-27)30-13-7-8-16-36(30)44(38,39)34-28-14-15-31(33-21-28)35-17-19-40-20-18-35/h1-6,9-12,14-15,21,29-30,34H,7-8,13,16-20,22-25H2/t30-/m0/s1
InChIKeyYICLOPVYPHUOTG-PMERELPUSA-N
XLogP3.77
TPSA119.53 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500624.76
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(phenylmethoxy)propan-2-yl (2S)-1-[(6-morpholin-4-yl-3-pyridinyl)sulfamoyl]piperidine-2-carboxylate?
The IUPAC name of 1,3-bis(phenylmethoxy)propan-2-yl (2S)-1-[(6-morpholin-4-yl-3-pyridinyl)sulfamoyl]piperidine-2-carboxylate (CID 10232858) is 1,3-bis(phenylmethoxy)propan-2-yl (2S)-1-[(6-morpholin-4-yl-3-pyridinyl)sulfamoyl]piperidine-2-carboxylate.
What is the SMILES notation for 1,3-bis(phenylmethoxy)propan-2-yl (2S)-1-[(6-morpholin-4-yl-3-pyridinyl)sulfamoyl]piperidine-2-carboxylate?
The canonical SMILES for 1,3-bis(phenylmethoxy)propan-2-yl (2S)-1-[(6-morpholin-4-yl-3-pyridinyl)sulfamoyl]piperidine-2-carboxylate is O=C(OC(COCc1ccccc1)COCc1ccccc1)[C@@H]1CCCCN1S(=O)(=O)Nc1ccc(N2CCOCC2)nc1.
What is the InChIKey of 1,3-bis(phenylmethoxy)propan-2-yl (2S)-1-[(6-morpholin-4-yl-3-pyridinyl)sulfamoyl]piperidine-2-carboxylate?
The InChIKey is YICLOPVYPHUOTG-PMERELPUSA-N. The full InChI is InChI=1S/C32H40N4O7S/c37-32(43-29(24-41-22-26-9-3-1-4-10-26)25-42-23-27-11-5-2-6-12-27)30-13-7-8-16-36(30)44(38,39)34-28-14-15-31(33-21-28)35-17-19-40-20-18-35/h1-6,9-12,14-15,21,29-30,34H,7-8,13,16-20,22-25H2/t30-/m0/s1.
What are the key properties of 1,3-bis(phenylmethoxy)propan-2-yl (2S)-1-[(6-morpholin-4-yl-3-pyridinyl)sulfamoyl]piperidine-2-carboxylate?
1,3-bis(phenylmethoxy)propan-2-yl (2S)-1-[(6-morpholin-4-yl-3-pyridinyl)sulfamoyl]piperidine-2-carboxylate has a molecular weight of 624.76 g/mol, XLogP of 3.77, 14 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(phenylmethoxy)propan-2-yl (2S)-1-[(6-morpholin-4-yl-3-pyridinyl)sulfamoyl]piperidine-2-carboxylate is sourced from PubChem (CID 10232858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).