(2R,6R)-4-(5-chloro-4-methyl-2-propoxyphenyl)sulfonyl-2,6-dimethylmorpholine

C16H24ClNO4S — CID 40793380

IUPAC(2R,6R)-4-(5-chloro-4-methyl-2-propoxyphenyl)sulfonyl-2,6-dimethylmorpholine
SMILESCCCOc1cc(C)c(Cl)cc1S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1
InChIInChI=1S/C16H24ClNO4S/c1-5-6-21-15-7-11(2)14(17)8-16(15)23(19,20)18-9-12(3)22-13(4)10-18/h7-8,12-13H,5-6,9-10H2,1-4H3/t12-,13-/m1/s1
InChIKeyBLATULZLNLKHMY-CHWSQXEVSA-N
MW361.89 g/mol
LogP3.24
Rot. Bonds5

About (2R,6R)-4-(5-chloro-4-methyl-2-propoxyphenyl)sulfonyl-2,6-dimethylmorpholine

(2R,6R)-4-(5-chloro-4-methyl-2-propoxyphenyl)sulfonyl-2,6-dimethylmorpholine (PubChem CID 40793380) has the molecular formula C16H24ClNO4S and a molecular weight of 361.89 g/mol. Its IUPAC name is (2R,6R)-4-(5-chloro-4-methyl-2-propoxyphenyl)sulfonyl-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2R,6R)-4-(5-chloro-4-methyl-2-propoxyphenyl)sulfonyl-2,6-dimethylmorpholine
PubChem CID40793380
Molecular FormulaC16H24ClNO4S
Molecular Weight361.89 g/mol
Exact Mass361.11
IUPAC Name(2R,6R)-4-(5-chloro-4-methyl-2-propoxyphenyl)sulfonyl-2,6-dimethylmorpholine
SMILESCCCOc1cc(C)c(Cl)cc1S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1
InChIInChI=1S/C16H24ClNO4S/c1-5-6-21-15-7-11(2)14(17)8-16(15)23(19,20)18-9-12(3)22-13(4)10-18/h7-8,12-13H,5-6,9-10H2,1-4H3/t12-,13-/m1/s1
InChIKeyBLATULZLNLKHMY-CHWSQXEVSA-N
XLogP3.24
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.89
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,6R)-4-(5-chloro-2-ethoxy-4-methylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 2238311
4-(2,5-diethoxy-4-methylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 6460147
(2S)-1-(5-chloro-4-methyl-2-propoxyphenyl)sulfonyl-2-methylpiperidine
CID 35201851
(2R,6R)-4-(3-butoxy-4-chlorophenyl)sulfonyl-2,6-dimethylmorpholine
CID 35202783
4-(3-butoxy-4-chlorophenyl)sulfonyl-2,6-dimethylmorpholine
CID 45146123
4-chloro-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(2-propoxyphenyl)benzamide
CID 41306963
(1S,5R)-7-(5-chloro-2-ethoxy-4-methylphenyl)sulfonyl-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one
CID 155914542
(3R,5R)-1-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-3,5-dimethylpiperidine
CID 7314523
1-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-3,5-dimethylpiperidine
CID 11841663
5-chloro-N-cyclopentyl-4-methyl-2-propoxybenzenesulfonamide
CID 7314568
(2R,6S)-4-(5-bromo-2-methoxy-4-methylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 7314575
5-chloro-4-methyl-2-propoxy-N-propylbenzenesulfonamide
CID 15943823

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-4-(5-chloro-4-methyl-2-propoxyphenyl)sulfonyl-2,6-dimethylmorpholine?
The IUPAC name of (2R,6R)-4-(5-chloro-4-methyl-2-propoxyphenyl)sulfonyl-2,6-dimethylmorpholine (CID 40793380) is (2R,6R)-4-(5-chloro-4-methyl-2-propoxyphenyl)sulfonyl-2,6-dimethylmorpholine.
What is the SMILES notation for (2R,6R)-4-(5-chloro-4-methyl-2-propoxyphenyl)sulfonyl-2,6-dimethylmorpholine?
The canonical SMILES for (2R,6R)-4-(5-chloro-4-methyl-2-propoxyphenyl)sulfonyl-2,6-dimethylmorpholine is CCCOc1cc(C)c(Cl)cc1S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1.
What is the InChIKey of (2R,6R)-4-(5-chloro-4-methyl-2-propoxyphenyl)sulfonyl-2,6-dimethylmorpholine?
The InChIKey is BLATULZLNLKHMY-CHWSQXEVSA-N. The full InChI is InChI=1S/C16H24ClNO4S/c1-5-6-21-15-7-11(2)14(17)8-16(15)23(19,20)18-9-12(3)22-13(4)10-18/h7-8,12-13H,5-6,9-10H2,1-4H3/t12-,13-/m1/s1.
What are the key properties of (2R,6R)-4-(5-chloro-4-methyl-2-propoxyphenyl)sulfonyl-2,6-dimethylmorpholine?
(2R,6R)-4-(5-chloro-4-methyl-2-propoxyphenyl)sulfonyl-2,6-dimethylmorpholine has a molecular weight of 361.89 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-4-(5-chloro-4-methyl-2-propoxyphenyl)sulfonyl-2,6-dimethylmorpholine is sourced from PubChem (CID 40793380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).