(2-methylphenyl)-[(3S)-3-morpholin-4-ylsulfonylpiperidin-1-yl]methanone

C17H24N2O4S — CID 97343511

IUPAC(2-methylphenyl)-[(3S)-3-morpholin-4-ylsulfonylpiperidin-1-yl]methanone
SMILESCc1ccccc1C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1
InChIInChI=1S/C17H24N2O4S/c1-14-5-2-3-7-16(14)17(20)18-8-4-6-15(13-18)24(21,22)19-9-11-23-12-10-19/h2-3,5,7,15H,4,6,8-13H2,1H3/t15-/m0/s1
InChIKeyFHVMICUVLRVIPT-HNNXBMFYSA-N
MW352.46 g/mol
LogP1.26
Rot. Bonds3

About (2-methylphenyl)-[(3S)-3-morpholin-4-ylsulfonylpiperidin-1-yl]methanone

(2-methylphenyl)-[(3S)-3-morpholin-4-ylsulfonylpiperidin-1-yl]methanone (PubChem CID 97343511) has the molecular formula C17H24N2O4S and a molecular weight of 352.46 g/mol. Its IUPAC name is (2-methylphenyl)-[(3S)-3-morpholin-4-ylsulfonylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methylphenyl)-[(3S)-3-morpholin-4-ylsulfonylpiperidin-1-yl]methanone
PubChem CID97343511
Molecular FormulaC17H24N2O4S
Molecular Weight352.46 g/mol
Exact Mass352.15
IUPAC Name(2-methylphenyl)-[(3S)-3-morpholin-4-ylsulfonylpiperidin-1-yl]methanone
SMILESCc1ccccc1C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1
InChIInChI=1S/C17H24N2O4S/c1-14-5-2-3-7-16(14)17(20)18-8-4-6-15(13-18)24(21,22)19-9-11-23-12-10-19/h2-3,5,7,15H,4,6,8-13H2,1H3/t15-/m0/s1
InChIKeyFHVMICUVLRVIPT-HNNXBMFYSA-N
XLogP1.26
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 ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-morpholin-4-ylsulfonylpiperidin-1-yl)-phenylmethanone
CID 75473929
(3S)-3-morpholin-4-ylsulfonyl-N-phenylpiperidine-1-carboxamide
CID 97343329
(2-methylphenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
CID 110472085
phenyl-(3-pyrrolidin-1-ylsulfonylpiperidin-1-yl)methanone
CID 75474346
1-(3-morpholin-4-ylsulfonylpiperidin-1-yl)-2-thiophen-2-ylpropan-1-one
CID 127778958
(2-methyl-5-morpholin-4-ylsulfonylphenyl)-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 27445751
[(3S)-3-morpholin-4-ylsulfonylpiperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 97343487
4H-1,3-benzodioxin-6-yl-(3-morpholin-4-ylsulfonylpiperidin-1-yl)methanone
CID 75473926
azepan-1-yl-(2-methylphenyl)methanone
CID 4616576
(3-ethoxypiperidin-1-yl)-(2-methylphenyl)methanone
CID 42656402
1-(2-methylbenzoyl)-N-(4-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide
CID 25162504
ethyl (3S)-1-(2-methylbenzoyl)piperidine-3-carboxylate
CID 81345354

Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl)-[(3S)-3-morpholin-4-ylsulfonylpiperidin-1-yl]methanone?
The IUPAC name of (2-methylphenyl)-[(3S)-3-morpholin-4-ylsulfonylpiperidin-1-yl]methanone (CID 97343511) is (2-methylphenyl)-[(3S)-3-morpholin-4-ylsulfonylpiperidin-1-yl]methanone.
What is the SMILES notation for (2-methylphenyl)-[(3S)-3-morpholin-4-ylsulfonylpiperidin-1-yl]methanone?
The canonical SMILES for (2-methylphenyl)-[(3S)-3-morpholin-4-ylsulfonylpiperidin-1-yl]methanone is Cc1ccccc1C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1.
What is the InChIKey of (2-methylphenyl)-[(3S)-3-morpholin-4-ylsulfonylpiperidin-1-yl]methanone?
The InChIKey is FHVMICUVLRVIPT-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H24N2O4S/c1-14-5-2-3-7-16(14)17(20)18-8-4-6-15(13-18)24(21,22)19-9-11-23-12-10-19/h2-3,5,7,15H,4,6,8-13H2,1H3/t15-/m0/s1.
What are the key properties of (2-methylphenyl)-[(3S)-3-morpholin-4-ylsulfonylpiperidin-1-yl]methanone?
(2-methylphenyl)-[(3S)-3-morpholin-4-ylsulfonylpiperidin-1-yl]methanone has a molecular weight of 352.46 g/mol, XLogP of 1.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl)-[(3S)-3-morpholin-4-ylsulfonylpiperidin-1-yl]methanone is sourced from PubChem (CID 97343511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).