(3R)-3-tert-butyl-4-(3-methoxyphenyl)sulfonylmorpholin-2-one

C15H21NO5S — CID 58017459

IUPAC(3R)-3-tert-butyl-4-(3-methoxyphenyl)sulfonylmorpholin-2-one
SMILESCOc1cccc(S(=O)(=O)N2CCOC(=O)[C@H]2C(C)(C)C)c1
InChIInChI=1S/C15H21NO5S/c1-15(2,3)13-14(17)21-9-8-16(13)22(18,19)12-7-5-6-11(10-12)20-4/h5-7,10,13H,8-9H2,1-4H3/t13-/m0/s1
InChIKeyHWNAEUKFXLEGQR-ZDUSSCGKSA-N
MW327.40 g/mol
LogP1.66
Rot. Bonds3

About (3R)-3-tert-butyl-4-(3-methoxyphenyl)sulfonylmorpholin-2-one

(3R)-3-tert-butyl-4-(3-methoxyphenyl)sulfonylmorpholin-2-one (PubChem CID 58017459) has the molecular formula C15H21NO5S and a molecular weight of 327.40 g/mol. Its IUPAC name is (3R)-3-tert-butyl-4-(3-methoxyphenyl)sulfonylmorpholin-2-one.

Molecular Properties

Compound Name(3R)-3-tert-butyl-4-(3-methoxyphenyl)sulfonylmorpholin-2-one
PubChem CID58017459
Molecular FormulaC15H21NO5S
Molecular Weight327.40 g/mol
Exact Mass327.11
IUPAC Name(3R)-3-tert-butyl-4-(3-methoxyphenyl)sulfonylmorpholin-2-one
SMILESCOc1cccc(S(=O)(=O)N2CCOC(=O)[C@H]2C(C)(C)C)c1
InChIInChI=1S/C15H21NO5S/c1-15(2,3)13-14(17)21-9-8-16(13)22(18,19)12-7-5-6-11(10-12)20-4/h5-7,10,13H,8-9H2,1-4H3/t13-/m0/s1
InChIKeyHWNAEUKFXLEGQR-ZDUSSCGKSA-N
XLogP1.66
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4aR,7aS)-4-(3-methoxyphenyl)sulfonyl-1-methyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine 6,6-dioxide
CID 70754566
1-(3-methoxyphenyl)sulfonyl-4-(4-methoxypiperidin-1-yl)piperidine
CID 90616602
(2R)-1-(3-methoxyphenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 2215364
ethane;1-(3-methoxyphenyl)sulfonylpiperidin-4-one
CID 143985284
methyl 1-(3-methoxyphenyl)sulfonylaziridine-2-carboxylate
CID 86623479
(2R)-1-(3-methoxyphenyl)sulfonylpyrrolidine-2-carboxylate
CID 2215363
methyl 1-(3-methoxyphenyl)sulfonylpyrrolidine-2-carboxylate
CID 81259925
4-cyclopropylidene-1-(3-methoxyphenyl)sulfonylpiperidine
CID 121187194
(3R)-1-(3-methoxyphenyl)sulfonylpyrrolidin-3-ol
CID 81258608
9-(3-methoxyphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane
CID 90510515
N-tert-butyl-3-methoxybenzenesulfonamide
CID 10752756
(5S)-9-(3-methoxyphenyl)sulfonyl-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 97116828

Frequently Asked Questions

What is the IUPAC name of (3R)-3-tert-butyl-4-(3-methoxyphenyl)sulfonylmorpholin-2-one?
The IUPAC name of (3R)-3-tert-butyl-4-(3-methoxyphenyl)sulfonylmorpholin-2-one (CID 58017459) is (3R)-3-tert-butyl-4-(3-methoxyphenyl)sulfonylmorpholin-2-one.
What is the SMILES notation for (3R)-3-tert-butyl-4-(3-methoxyphenyl)sulfonylmorpholin-2-one?
The canonical SMILES for (3R)-3-tert-butyl-4-(3-methoxyphenyl)sulfonylmorpholin-2-one is COc1cccc(S(=O)(=O)N2CCOC(=O)[C@H]2C(C)(C)C)c1.
What is the InChIKey of (3R)-3-tert-butyl-4-(3-methoxyphenyl)sulfonylmorpholin-2-one?
The InChIKey is HWNAEUKFXLEGQR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H21NO5S/c1-15(2,3)13-14(17)21-9-8-16(13)22(18,19)12-7-5-6-11(10-12)20-4/h5-7,10,13H,8-9H2,1-4H3/t13-/m0/s1.
What are the key properties of (3R)-3-tert-butyl-4-(3-methoxyphenyl)sulfonylmorpholin-2-one?
(3R)-3-tert-butyl-4-(3-methoxyphenyl)sulfonylmorpholin-2-one has a molecular weight of 327.40 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-tert-butyl-4-(3-methoxyphenyl)sulfonylmorpholin-2-one is sourced from PubChem (CID 58017459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).