(6S)-4-(2-fluorophenyl)sulfonyl-6-(methoxymethyl)-2,2-dimethylmorpholine

C14H20FNO4S — CID 129345493

IUPAC(6S)-4-(2-fluorophenyl)sulfonyl-6-(methoxymethyl)-2,2-dimethylmorpholine
SMILESCOC[C@@H]1CN(S(=O)(=O)c2ccccc2F)CC(C)(C)O1
InChIInChI=1S/C14H20FNO4S/c1-14(2)10-16(8-11(20-14)9-19-3)21(17,18)13-7-5-4-6-12(13)15/h4-7,11H,8-10H2,1-3H3/t11-/m0/s1
InChIKeyJWWYRJCNAAKNTN-NSHDSACASA-N
MW317.38 g/mol
LogP1.64
Rot. Bonds4

About (6S)-4-(2-fluorophenyl)sulfonyl-6-(methoxymethyl)-2,2-dimethylmorpholine

(6S)-4-(2-fluorophenyl)sulfonyl-6-(methoxymethyl)-2,2-dimethylmorpholine (PubChem CID 129345493) has the molecular formula C14H20FNO4S and a molecular weight of 317.38 g/mol. Its IUPAC name is (6S)-4-(2-fluorophenyl)sulfonyl-6-(methoxymethyl)-2,2-dimethylmorpholine.

Molecular Properties

Compound Name(6S)-4-(2-fluorophenyl)sulfonyl-6-(methoxymethyl)-2,2-dimethylmorpholine
PubChem CID129345493
Molecular FormulaC14H20FNO4S
Molecular Weight317.38 g/mol
Exact Mass317.11
IUPAC Name(6S)-4-(2-fluorophenyl)sulfonyl-6-(methoxymethyl)-2,2-dimethylmorpholine
SMILESCOC[C@@H]1CN(S(=O)(=O)c2ccccc2F)CC(C)(C)O1
InChIInChI=1S/C14H20FNO4S/c1-14(2)10-16(8-11(20-14)9-19-3)21(17,18)13-7-5-4-6-12(13)15/h4-7,11H,8-10H2,1-3H3/t11-/m0/s1
InChIKeyJWWYRJCNAAKNTN-NSHDSACASA-N
XLogP1.64
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,5-difluorophenyl)sulfonyl-6-(methoxymethyl)-2,2-dimethylmorpholine
CID 128975324
(6R)-4-[(4-fluorophenyl)methylsulfonyl]-6-(methoxymethyl)-2,2-dimethylmorpholine
CID 129484478
[4-(2-methoxyphenyl)sulfonyl-6,6-dimethylmorpholin-2-yl]methanol
CID 114779082
(3S)-8-(2-fluorophenyl)sulfonyl-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decane
CID 97418013
(3R)-8-(2-fluorophenyl)sulfonyl-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decane
CID 97418014
1-(2-fluorophenyl)sulfonyl-3-(methoxymethyl)pyrrolidine
CID 64570512
6-(chloromethyl)-4-(2-chlorophenyl)sulfonyl-2,2-dimethylmorpholine
CID 114781760
4-(4-bromo-2-fluorophenyl)sulfonyl-6-(bromomethyl)-2,2-dimethylmorpholine
CID 114781861
2-(2-fluorophenoxy)-1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone
CID 129485675
6-(methoxymethyl)-2,2-dimethyl-4-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]morpholine
CID 128975302
4-(2-fluorophenyl)sulfonyl-1,2,2-trimethylpiperazine
CID 63634158
6-(bromomethyl)-4-(3-fluorophenyl)sulfonyl-2,2-dimethylmorpholine
CID 114781838

Frequently Asked Questions

What is the IUPAC name of (6S)-4-(2-fluorophenyl)sulfonyl-6-(methoxymethyl)-2,2-dimethylmorpholine?
The IUPAC name of (6S)-4-(2-fluorophenyl)sulfonyl-6-(methoxymethyl)-2,2-dimethylmorpholine (CID 129345493) is (6S)-4-(2-fluorophenyl)sulfonyl-6-(methoxymethyl)-2,2-dimethylmorpholine.
What is the SMILES notation for (6S)-4-(2-fluorophenyl)sulfonyl-6-(methoxymethyl)-2,2-dimethylmorpholine?
The canonical SMILES for (6S)-4-(2-fluorophenyl)sulfonyl-6-(methoxymethyl)-2,2-dimethylmorpholine is COC[C@@H]1CN(S(=O)(=O)c2ccccc2F)CC(C)(C)O1.
What is the InChIKey of (6S)-4-(2-fluorophenyl)sulfonyl-6-(methoxymethyl)-2,2-dimethylmorpholine?
The InChIKey is JWWYRJCNAAKNTN-NSHDSACASA-N. The full InChI is InChI=1S/C14H20FNO4S/c1-14(2)10-16(8-11(20-14)9-19-3)21(17,18)13-7-5-4-6-12(13)15/h4-7,11H,8-10H2,1-3H3/t11-/m0/s1.
What are the key properties of (6S)-4-(2-fluorophenyl)sulfonyl-6-(methoxymethyl)-2,2-dimethylmorpholine?
(6S)-4-(2-fluorophenyl)sulfonyl-6-(methoxymethyl)-2,2-dimethylmorpholine has a molecular weight of 317.38 g/mol, XLogP of 1.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-4-(2-fluorophenyl)sulfonyl-6-(methoxymethyl)-2,2-dimethylmorpholine is sourced from PubChem (CID 129345493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).