[(2R,4S)-1-(2-methylphenyl)sulfonyl-4-pyridin-3-yloxypyrrolidin-2-yl]-morpholin-4-ylmethanone

C21H25N3O5S — CID 110196998

IUPAC[(2R,4S)-1-(2-methylphenyl)sulfonyl-4-pyridin-3-yloxypyrrolidin-2-yl]-morpholin-4-ylmethanone
SMILESCc1ccccc1S(=O)(=O)N1C[C@@H](Oc2cccnc2)C[C@@H]1C(=O)N1CCOCC1
InChIInChI=1S/C21H25N3O5S/c1-16-5-2-3-7-20(16)30(26,27)24-15-18(29-17-6-4-8-22-14-17)13-19(24)21(25)23-9-11-28-12-10-23/h2-8,14,18-19H,9-13,15H2,1H3/t18-,19+/m0/s1
InChIKeyMWJVAMGIAAKWJO-RBUKOAKNSA-N
MW431.51 g/mol
LogP1.46
Rot. Bonds5

About [(2R,4S)-1-(2-methylphenyl)sulfonyl-4-pyridin-3-yloxypyrrolidin-2-yl]-morpholin-4-ylmethanone

[(2R,4S)-1-(2-methylphenyl)sulfonyl-4-pyridin-3-yloxypyrrolidin-2-yl]-morpholin-4-ylmethanone (PubChem CID 110196998) has the molecular formula C21H25N3O5S and a molecular weight of 431.51 g/mol. Its IUPAC name is [(2R,4S)-1-(2-methylphenyl)sulfonyl-4-pyridin-3-yloxypyrrolidin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(2R,4S)-1-(2-methylphenyl)sulfonyl-4-pyridin-3-yloxypyrrolidin-2-yl]-morpholin-4-ylmethanone
PubChem CID110196998
Molecular FormulaC21H25N3O5S
Molecular Weight431.51 g/mol
Exact Mass431.15
IUPAC Name[(2R,4S)-1-(2-methylphenyl)sulfonyl-4-pyridin-3-yloxypyrrolidin-2-yl]-morpholin-4-ylmethanone
SMILESCc1ccccc1S(=O)(=O)N1C[C@@H](Oc2cccnc2)C[C@@H]1C(=O)N1CCOCC1
InChIInChI=1S/C21H25N3O5S/c1-16-5-2-3-7-20(16)30(26,27)24-15-18(29-17-6-4-8-22-14-17)13-19(24)21(25)23-9-11-28-12-10-23/h2-8,14,18-19H,9-13,15H2,1H3/t18-,19+/m0/s1
InChIKeyMWJVAMGIAAKWJO-RBUKOAKNSA-N
XLogP1.46
TPSA89.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.51
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(2R,4S)-1-(2-methylphenyl)sulfonyl-4-pyridin-3-yloxypyrrolidin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(2R,4S)-1-(2-methylphenyl)sulfonyl-4-pyridin-3-yloxypyrrolidin-2-yl]-morpholin-4-ylmethanone (CID 110196998) is [(2R,4S)-1-(2-methylphenyl)sulfonyl-4-pyridin-3-yloxypyrrolidin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(2R,4S)-1-(2-methylphenyl)sulfonyl-4-pyridin-3-yloxypyrrolidin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(2R,4S)-1-(2-methylphenyl)sulfonyl-4-pyridin-3-yloxypyrrolidin-2-yl]-morpholin-4-ylmethanone is Cc1ccccc1S(=O)(=O)N1C[C@@H](Oc2cccnc2)C[C@@H]1C(=O)N1CCOCC1.
What is the InChIKey of [(2R,4S)-1-(2-methylphenyl)sulfonyl-4-pyridin-3-yloxypyrrolidin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is MWJVAMGIAAKWJO-RBUKOAKNSA-N. The full InChI is InChI=1S/C21H25N3O5S/c1-16-5-2-3-7-20(16)30(26,27)24-15-18(29-17-6-4-8-22-14-17)13-19(24)21(25)23-9-11-28-12-10-23/h2-8,14,18-19H,9-13,15H2,1H3/t18-,19+/m0/s1.
What are the key properties of [(2R,4S)-1-(2-methylphenyl)sulfonyl-4-pyridin-3-yloxypyrrolidin-2-yl]-morpholin-4-ylmethanone?
[(2R,4S)-1-(2-methylphenyl)sulfonyl-4-pyridin-3-yloxypyrrolidin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 431.51 g/mol, XLogP of 1.46, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4S)-1-(2-methylphenyl)sulfonyl-4-pyridin-3-yloxypyrrolidin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 110196998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).