(6-methylsulfonyl-3-pyridinyl)-(3-phenylthiomorpholin-4-yl)methanone

C17H18N2O3S2 — CID 167751744

IUPAC(6-methylsulfonyl-3-pyridinyl)-(3-phenylthiomorpholin-4-yl)methanone
SMILESCS(=O)(=O)c1ccc(C(=O)N2CCSCC2c2ccccc2)cn1
InChIInChI=1S/C17H18N2O3S2/c1-24(21,22)16-8-7-14(11-18-16)17(20)19-9-10-23-12-15(19)13-5-3-2-4-6-13/h2-8,11,15H,9-10,12H2,1H3
InChIKeyBMNZDJLUCVYSBE-UHFFFAOYSA-N
MW362.48 g/mol
LogP2.42
Rot. Bonds3

About (6-methylsulfonyl-3-pyridinyl)-(3-phenylthiomorpholin-4-yl)methanone

(6-methylsulfonyl-3-pyridinyl)-(3-phenylthiomorpholin-4-yl)methanone (PubChem CID 167751744) has the molecular formula C17H18N2O3S2 and a molecular weight of 362.48 g/mol. Its IUPAC name is (6-methylsulfonyl-3-pyridinyl)-(3-phenylthiomorpholin-4-yl)methanone.

Molecular Properties

Compound Name(6-methylsulfonyl-3-pyridinyl)-(3-phenylthiomorpholin-4-yl)methanone
PubChem CID167751744
Molecular FormulaC17H18N2O3S2
Molecular Weight362.48 g/mol
Exact Mass362.08
IUPAC Name(6-methylsulfonyl-3-pyridinyl)-(3-phenylthiomorpholin-4-yl)methanone
SMILESCS(=O)(=O)c1ccc(C(=O)N2CCSCC2c2ccccc2)cn1
InChIInChI=1S/C17H18N2O3S2/c1-24(21,22)16-8-7-14(11-18-16)17(20)19-9-10-23-12-15(19)13-5-3-2-4-6-13/h2-8,11,15H,9-10,12H2,1H3
InChIKeyBMNZDJLUCVYSBE-UHFFFAOYSA-N
XLogP2.42
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-methylsulfonylpyridine-3-carboxylic acid
CID 53429616
2-amino-1-(3-phenylthiomorpholin-4-yl)ethanone;hydrochloride
CID 119281363
(6-ethylsulfanyl-3-pyridinyl)-[(3S)-3-methylsulfonylthiomorpholin-4-yl]methanone
CID 125131191
[(3R)-3-phenylthiomorpholin-4-yl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 97081773
(6-methoxy-3-pyridinyl)-[(2R)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 37333871
4-[3-(4-chlorophenyl)thiomorpholine-4-carbonyl]-N-ethylbenzenesulfonamide
CID 86962238
(3-aminopiperidin-1-yl)-(6-methylsulfonyl-3-pyridinyl)methanone
CID 123523269
4-amino-1-(3-phenylthiomorpholin-4-yl)pentan-1-one
CID 120559857
2-[4-(6-phenoxypyridine-3-carbonyl)thiomorpholin-3-yl]acetic acid
CID 120520635
(5-methyl-1-piperidin-4-yltriazol-4-yl)-(3-phenylthiomorpholin-4-yl)methanone;hydrochloride
CID 119708916
3-phenylthiomorpholine-4-sulfinic acid
CID 71087504
(2-phenyl-1,3-thiazolidin-3-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 122329188

Frequently Asked Questions

What is the IUPAC name of (6-methylsulfonyl-3-pyridinyl)-(3-phenylthiomorpholin-4-yl)methanone?
The IUPAC name of (6-methylsulfonyl-3-pyridinyl)-(3-phenylthiomorpholin-4-yl)methanone (CID 167751744) is (6-methylsulfonyl-3-pyridinyl)-(3-phenylthiomorpholin-4-yl)methanone.
What is the SMILES notation for (6-methylsulfonyl-3-pyridinyl)-(3-phenylthiomorpholin-4-yl)methanone?
The canonical SMILES for (6-methylsulfonyl-3-pyridinyl)-(3-phenylthiomorpholin-4-yl)methanone is CS(=O)(=O)c1ccc(C(=O)N2CCSCC2c2ccccc2)cn1.
What is the InChIKey of (6-methylsulfonyl-3-pyridinyl)-(3-phenylthiomorpholin-4-yl)methanone?
The InChIKey is BMNZDJLUCVYSBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S2/c1-24(21,22)16-8-7-14(11-18-16)17(20)19-9-10-23-12-15(19)13-5-3-2-4-6-13/h2-8,11,15H,9-10,12H2,1H3.
What are the key properties of (6-methylsulfonyl-3-pyridinyl)-(3-phenylthiomorpholin-4-yl)methanone?
(6-methylsulfonyl-3-pyridinyl)-(3-phenylthiomorpholin-4-yl)methanone has a molecular weight of 362.48 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methylsulfonyl-3-pyridinyl)-(3-phenylthiomorpholin-4-yl)methanone is sourced from PubChem (CID 167751744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).