[(3S)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone

C17H24N2O4S — CID 1090398

IUPAC[(3S)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone
SMILESCc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)cc1
InChIInChI=1S/C17H24N2O4S/c1-14-4-6-16(7-5-14)24(21,22)19-8-2-3-15(13-19)17(20)18-9-11-23-12-10-18/h4-7,15H,2-3,8-13H2,1H3/t15-/m0/s1
InChIKeyIKPBYWHPDKYRME-HNNXBMFYSA-N
MW352.46 g/mol
LogP1.25
Rot. Bonds3

About [(3S)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone

[(3S)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone (PubChem CID 1090398) has the molecular formula C17H24N2O4S and a molecular weight of 352.46 g/mol. Its IUPAC name is [(3S)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(3S)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone
PubChem CID1090398
Molecular FormulaC17H24N2O4S
Molecular Weight352.46 g/mol
Exact Mass352.15
IUPAC Name[(3S)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone
SMILESCc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)cc1
InChIInChI=1S/C17H24N2O4S/c1-14-4-6-16(7-5-14)24(21,22)19-8-2-3-15(13-19)17(20)18-9-11-23-12-10-18/h4-7,15H,2-3,8-13H2,1H3/t15-/m0/s1
InChIKeyIKPBYWHPDKYRME-HNNXBMFYSA-N
XLogP1.25
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 ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone
CID 3156708
morpholin-4-yl-[1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidin-3-yl]methanone
CID 16605464
[1-(4-tert-butylphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone
CID 51322299
4-[1-(4-methylphenyl)sulfonylpiperidine-3-carbonyl]morpholine-2-carboxylic acid
CID 119358030
[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-[(3R)-1-methylsulfonylpiperidin-3-yl]methanone
CID 51931000
[1-(3,5-dichlorophenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone
CID 24604852
[3-(aminomethyl)pyrrolidin-1-yl]-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]methanone;hydrochloride
CID 119485135
(3R)-1-(4-methylphenyl)sulfonyl-N-(4-morpholin-4-ylphenyl)piperidine-3-carboxamide
CID 100525168
[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 48690592
(4-benzhydrylpiperazin-1-yl)-[(3S)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]methanone
CID 30156942
3-methyl-6-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]sulfonyl-1,3-benzoxazol-2-one
CID 40503494
[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 3236130

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(3S)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone (CID 1090398) is [(3S)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(3S)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(3S)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone is Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)cc1.
What is the InChIKey of [(3S)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is IKPBYWHPDKYRME-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H24N2O4S/c1-14-4-6-16(7-5-14)24(21,22)19-8-2-3-15(13-19)17(20)18-9-11-23-12-10-18/h4-7,15H,2-3,8-13H2,1H3/t15-/m0/s1.
What are the key properties of [(3S)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone?
[(3S)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 352.46 g/mol, XLogP of 1.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 1090398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).