(3R)-3-[(1S,2R)-2-methoxycyclopentyl]-4-(2-methylphenyl)sulfonylmorpholine

C17H25NO4S — CID 129485247

IUPAC(3R)-3-[(1S,2R)-2-methoxycyclopentyl]-4-(2-methylphenyl)sulfonylmorpholine
SMILESCO[C@@H]1CCC[C@H]1[C@@H]1COCCN1S(=O)(=O)c1ccccc1C
InChIInChI=1S/C17H25NO4S/c1-13-6-3-4-9-17(13)23(19,20)18-10-11-22-12-15(18)14-7-5-8-16(14)21-2/h3-4,6,9,14-16H,5,7-8,10-12H2,1-2H3/t14-,15-,16+/m0/s1
InChIKeyUMFPARXFHHMYQK-HRCADAONSA-N
MW339.46 g/mol
LogP2.20
Rot. Bonds4

About (3R)-3-[(1S,2R)-2-methoxycyclopentyl]-4-(2-methylphenyl)sulfonylmorpholine

(3R)-3-[(1S,2R)-2-methoxycyclopentyl]-4-(2-methylphenyl)sulfonylmorpholine (PubChem CID 129485247) has the molecular formula C17H25NO4S and a molecular weight of 339.46 g/mol. Its IUPAC name is (3R)-3-[(1S,2R)-2-methoxycyclopentyl]-4-(2-methylphenyl)sulfonylmorpholine.

Molecular Properties

Compound Name(3R)-3-[(1S,2R)-2-methoxycyclopentyl]-4-(2-methylphenyl)sulfonylmorpholine
PubChem CID129485247
Molecular FormulaC17H25NO4S
Molecular Weight339.46 g/mol
Exact Mass339.15
IUPAC Name(3R)-3-[(1S,2R)-2-methoxycyclopentyl]-4-(2-methylphenyl)sulfonylmorpholine
SMILESCO[C@@H]1CCC[C@H]1[C@@H]1COCCN1S(=O)(=O)c1ccccc1C
InChIInChI=1S/C17H25NO4S/c1-13-6-3-4-9-17(13)23(19,20)18-10-11-22-12-15(18)14-7-5-8-16(14)21-2/h3-4,6,9,14-16H,5,7-8,10-12H2,1-2H3/t14-,15-,16+/m0/s1
InChIKeyUMFPARXFHHMYQK-HRCADAONSA-N
XLogP2.20
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(1S,2R)-2-methoxycyclopentyl]-4-(2-methylphenyl)sulfonylmorpholine?
The IUPAC name of (3R)-3-[(1S,2R)-2-methoxycyclopentyl]-4-(2-methylphenyl)sulfonylmorpholine (CID 129485247) is (3R)-3-[(1S,2R)-2-methoxycyclopentyl]-4-(2-methylphenyl)sulfonylmorpholine.
What is the SMILES notation for (3R)-3-[(1S,2R)-2-methoxycyclopentyl]-4-(2-methylphenyl)sulfonylmorpholine?
The canonical SMILES for (3R)-3-[(1S,2R)-2-methoxycyclopentyl]-4-(2-methylphenyl)sulfonylmorpholine is CO[C@@H]1CCC[C@H]1[C@@H]1COCCN1S(=O)(=O)c1ccccc1C.
What is the InChIKey of (3R)-3-[(1S,2R)-2-methoxycyclopentyl]-4-(2-methylphenyl)sulfonylmorpholine?
The InChIKey is UMFPARXFHHMYQK-HRCADAONSA-N. The full InChI is InChI=1S/C17H25NO4S/c1-13-6-3-4-9-17(13)23(19,20)18-10-11-22-12-15(18)14-7-5-8-16(14)21-2/h3-4,6,9,14-16H,5,7-8,10-12H2,1-2H3/t14-,15-,16+/m0/s1.
What are the key properties of (3R)-3-[(1S,2R)-2-methoxycyclopentyl]-4-(2-methylphenyl)sulfonylmorpholine?
(3R)-3-[(1S,2R)-2-methoxycyclopentyl]-4-(2-methylphenyl)sulfonylmorpholine has a molecular weight of 339.46 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(1S,2R)-2-methoxycyclopentyl]-4-(2-methylphenyl)sulfonylmorpholine is sourced from PubChem (CID 129485247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).