[(3S)-3-methylpiperidin-1-yl]-(3-morpholin-4-ylsulfonylphenyl)methanone

C17H24N2O4S — CID 8764281

IUPAC[(3S)-3-methylpiperidin-1-yl]-(3-morpholin-4-ylsulfonylphenyl)methanone
SMILESC[C@H]1CCCN(C(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C1
InChIInChI=1S/C17H24N2O4S/c1-14-4-3-7-18(13-14)17(20)15-5-2-6-16(12-15)24(21,22)19-8-10-23-11-9-19/h2,5-6,12,14H,3-4,7-11,13H2,1H3/t14-/m0/s1
InChIKeyZYWHKHYNHPFCBW-AWEZNQCLSA-N
MW352.46 g/mol
LogP1.58
Rot. Bonds3

About [(3S)-3-methylpiperidin-1-yl]-(3-morpholin-4-ylsulfonylphenyl)methanone

[(3S)-3-methylpiperidin-1-yl]-(3-morpholin-4-ylsulfonylphenyl)methanone (PubChem CID 8764281) has the molecular formula C17H24N2O4S and a molecular weight of 352.46 g/mol. Its IUPAC name is [(3S)-3-methylpiperidin-1-yl]-(3-morpholin-4-ylsulfonylphenyl)methanone.

Molecular Properties

Compound Name[(3S)-3-methylpiperidin-1-yl]-(3-morpholin-4-ylsulfonylphenyl)methanone
PubChem CID8764281
Molecular FormulaC17H24N2O4S
Molecular Weight352.46 g/mol
Exact Mass352.15
IUPAC Name[(3S)-3-methylpiperidin-1-yl]-(3-morpholin-4-ylsulfonylphenyl)methanone
SMILESC[C@H]1CCCN(C(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C1
InChIInChI=1S/C17H24N2O4S/c1-14-4-3-7-18(13-14)17(20)15-5-2-6-16(12-15)24(21,22)19-8-10-23-11-9-19/h2,5-6,12,14H,3-4,7-11,13H2,1H3/t14-/m0/s1
InChIKeyZYWHKHYNHPFCBW-AWEZNQCLSA-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

1-[4-[3-(3-methylpiperidine-1-carbonyl)phenyl]sulfonylpiperazin-1-yl]ethanone
CID 18280417
morpholin-4-yl-(3-morpholin-4-ylsulfonylphenyl)methanone
CID 743019
[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(3-morpholin-4-ylsulfonylphenyl)methanone
CID 9295928
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(3-morpholin-4-ylsulfonylphenyl)methanone
CID 2326568
[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate
CID 7981258
[3-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-morpholin-4-ylmethanone
CID 110677156
[3-[[(3aS,7aR)-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]sulfonyl]phenyl]-morpholin-4-ylmethanone
CID 72879903
N-[[(2R,6R)-2,6-dimethylcyclohexylidene]amino]-3-morpholin-4-ylsulfonylbenzamide
CID 9061003
N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-3-morpholin-4-ylsulfonylbenzamide
CID 94119670
(3-morpholin-4-ylsulfonylphenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119402219
(2-methylmorpholin-4-yl)-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]methanone
CID 110354731
(2-cyclohexylpyrrolidin-1-yl)-(3-morpholin-4-ylsulfonylphenyl)methanone
CID 60534827

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-methylpiperidin-1-yl]-(3-morpholin-4-ylsulfonylphenyl)methanone?
The IUPAC name of [(3S)-3-methylpiperidin-1-yl]-(3-morpholin-4-ylsulfonylphenyl)methanone (CID 8764281) is [(3S)-3-methylpiperidin-1-yl]-(3-morpholin-4-ylsulfonylphenyl)methanone.
What is the SMILES notation for [(3S)-3-methylpiperidin-1-yl]-(3-morpholin-4-ylsulfonylphenyl)methanone?
The canonical SMILES for [(3S)-3-methylpiperidin-1-yl]-(3-morpholin-4-ylsulfonylphenyl)methanone is C[C@H]1CCCN(C(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C1.
What is the InChIKey of [(3S)-3-methylpiperidin-1-yl]-(3-morpholin-4-ylsulfonylphenyl)methanone?
The InChIKey is ZYWHKHYNHPFCBW-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H24N2O4S/c1-14-4-3-7-18(13-14)17(20)15-5-2-6-16(12-15)24(21,22)19-8-10-23-11-9-19/h2,5-6,12,14H,3-4,7-11,13H2,1H3/t14-/m0/s1.
What are the key properties of [(3S)-3-methylpiperidin-1-yl]-(3-morpholin-4-ylsulfonylphenyl)methanone?
[(3S)-3-methylpiperidin-1-yl]-(3-morpholin-4-ylsulfonylphenyl)methanone 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 [(3S)-3-methylpiperidin-1-yl]-(3-morpholin-4-ylsulfonylphenyl)methanone is sourced from PubChem (CID 8764281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).