[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]-morpholin-4-ylmethanone

C17H24N2O4S — CID 40791712

IUPAC[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]-morpholin-4-ylmethanone
SMILESC[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)N3CCOCC3)cc2)C1
InChIInChI=1S/C17H24N2O4S/c1-14-3-2-8-19(13-14)24(21,22)16-6-4-15(5-7-16)17(20)18-9-11-23-12-10-18/h4-7,14H,2-3,8-13H2,1H3/t14-/m1/s1
InChIKeyCOEWCBCJQYOJFS-CQSZACIVSA-N
MW352.46 g/mol
LogP1.58
Rot. Bonds3

About [4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]-morpholin-4-ylmethanone

[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]-morpholin-4-ylmethanone (PubChem CID 40791712) has the molecular formula C17H24N2O4S and a molecular weight of 352.46 g/mol. Its IUPAC name is [4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]-morpholin-4-ylmethanone
PubChem CID40791712
Molecular FormulaC17H24N2O4S
Molecular Weight352.46 g/mol
Exact Mass352.15
IUPAC Name[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]-morpholin-4-ylmethanone
SMILESC[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)N3CCOCC3)cc2)C1
InChIInChI=1S/C17H24N2O4S/c1-14-3-2-8-19(13-14)24(21,22)16-6-4-15(5-7-16)17(20)18-9-11-23-12-10-18/h4-7,14H,2-3,8-13H2,1H3/t14-/m1/s1
InChIKeyCOEWCBCJQYOJFS-CQSZACIVSA-N
XLogP1.58
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzoic acid
CID 1132674
4-(3-methylpiperidin-1-yl)sulfonylbenzoic acid
CID 2770974
1-[4-(3-methylpiperidin-1-yl)sulfonylbenzoyl]pyrrolidine-3-carboxylic acid
CID 119354632
4-[(3R)-3-methylpiperidin-1-yl]sulfonylbenzoate
CID 6969777
[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-[(3R)-3-methylpiperidin-1-yl]methanone
CID 8764270
1-[4-[4-(3-methylpiperidine-1-carbonyl)phenyl]sulfonylpiperazin-1-yl]ethanone
CID 109060483
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 2332587
N'-[[4-(3-methylpiperidin-1-yl)sulfonylphenyl]methyl]morpholine-4-carboximidamide
CID 111059251
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]methanone
CID 25440664
1-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]sulfonylazepane
CID 3184670
[(3S)-3-methylpiperidin-1-yl]-(3-morpholin-4-ylsulfonylphenyl)methanone
CID 8764281
azepan-1-yl-[4-(2-methylmorpholin-4-yl)sulfonylphenyl]methanone
CID 110343797

Frequently Asked Questions

What is the IUPAC name of [4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]-morpholin-4-ylmethanone (CID 40791712) is [4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]-morpholin-4-ylmethanone is C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)N3CCOCC3)cc2)C1.
What is the InChIKey of [4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]-morpholin-4-ylmethanone?
The InChIKey is COEWCBCJQYOJFS-CQSZACIVSA-N. The full InChI is InChI=1S/C17H24N2O4S/c1-14-3-2-8-19(13-14)24(21,22)16-6-4-15(5-7-16)17(20)18-9-11-23-12-10-18/h4-7,14H,2-3,8-13H2,1H3/t14-/m1/s1.
What are the key properties of [4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]-morpholin-4-ylmethanone?
[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]-morpholin-4-ylmethanone has a molecular weight of 352.46 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 40791712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).