4-(benzenesulfonyl)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholine

C17H21N3O3S — CID 110116467

IUPAC4-(benzenesulfonyl)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholine
SMILESCc1cc(CCC2CN(S(=O)(=O)c3ccccc3)CCO2)ncn1
InChIInChI=1S/C17H21N3O3S/c1-14-11-15(19-13-18-14)7-8-16-12-20(9-10-23-16)24(21,22)17-5-3-2-4-6-17/h2-6,11,13,16H,7-10,12H2,1H3
InChIKeyCCARWNXNZXLHEF-UHFFFAOYSA-N
MW347.44 g/mol
LogP1.81
Rot. Bonds5

About 4-(benzenesulfonyl)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholine

4-(benzenesulfonyl)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholine (PubChem CID 110116467) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholine.

Molecular Properties

Compound Name4-(benzenesulfonyl)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholine
PubChem CID110116467
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name4-(benzenesulfonyl)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholine
SMILESCc1cc(CCC2CN(S(=O)(=O)c3ccccc3)CCO2)ncn1
InChIInChI=1S/C17H21N3O3S/c1-14-11-15(19-13-18-14)7-8-16-12-20(9-10-23-16)24(21,22)17-5-3-2-4-6-17/h2-6,11,13,16H,7-10,12H2,1H3
InChIKeyCCARWNXNZXLHEF-UHFFFAOYSA-N
XLogP1.81
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-4-(benzenesulfonyl)-2-(2-phenylethyl)morpholine
CID 25279605
2-(2-methylphenyl)-1-[(2S)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]ethanone
CID 124969498
1-[(2S)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]-2-thiophen-2-ylethanone
CID 124995572
2-methyl-1-[2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]prop-2-en-1-one
CID 175656276
[(2S)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]-pyridazin-4-ylmethanone
CID 124996201
[4-(methoxymethyl)phenyl]-[(2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]methanone
CID 125002887
1-[2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]-2-(5-methylthiophen-2-yl)ethanone
CID 110116480
(2S)-N,N-dimethyl-2-[2-(6-oxo-1H-pyrimidin-4-yl)ethyl]morpholine-4-sulfonamide
CID 137052917
2-(4-methyl-1,2,5-oxadiazol-3-yl)-1-[(2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]ethanone
CID 124970120
methyl 2-[4-(benzenesulfonyl)morpholin-2-yl]acetate
CID 79771144
[(2S)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]-(1,3-oxazol-5-yl)methanone
CID 124966440
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]ethanone
CID 110116517

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholine?
The IUPAC name of 4-(benzenesulfonyl)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholine (CID 110116467) is 4-(benzenesulfonyl)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholine.
What is the SMILES notation for 4-(benzenesulfonyl)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholine?
The canonical SMILES for 4-(benzenesulfonyl)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholine is Cc1cc(CCC2CN(S(=O)(=O)c3ccccc3)CCO2)ncn1.
What is the InChIKey of 4-(benzenesulfonyl)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholine?
The InChIKey is CCARWNXNZXLHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-14-11-15(19-13-18-14)7-8-16-12-20(9-10-23-16)24(21,22)17-5-3-2-4-6-17/h2-6,11,13,16H,7-10,12H2,1H3.
What are the key properties of 4-(benzenesulfonyl)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholine?
4-(benzenesulfonyl)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholine has a molecular weight of 347.44 g/mol, XLogP of 1.81, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholine is sourced from PubChem (CID 110116467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).