4-ethylsulfonyl-2-(2-methylpyrimidin-4-yl)morpholine

C11H17N3O3S — CID 110269895

IUPAC4-ethylsulfonyl-2-(2-methylpyrimidin-4-yl)morpholine
SMILESCCS(=O)(=O)N1CCOC(c2ccnc(C)n2)C1
InChIInChI=1S/C11H17N3O3S/c1-3-18(15,16)14-6-7-17-11(8-14)10-4-5-12-9(2)13-10/h4-5,11H,3,6-8H2,1-2H3
InChIKeyRKHVKVVIYGOMAR-UHFFFAOYSA-N
MW271.34 g/mol
LogP0.51
Rot. Bonds3

About 4-ethylsulfonyl-2-(2-methylpyrimidin-4-yl)morpholine

4-ethylsulfonyl-2-(2-methylpyrimidin-4-yl)morpholine (PubChem CID 110269895) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is 4-ethylsulfonyl-2-(2-methylpyrimidin-4-yl)morpholine.

Molecular Properties

Compound Name4-ethylsulfonyl-2-(2-methylpyrimidin-4-yl)morpholine
PubChem CID110269895
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name4-ethylsulfonyl-2-(2-methylpyrimidin-4-yl)morpholine
SMILESCCS(=O)(=O)N1CCOC(c2ccnc(C)n2)C1
InChIInChI=1S/C11H17N3O3S/c1-3-18(15,16)14-6-7-17-11(8-14)10-4-5-12-9(2)13-10/h4-5,11H,3,6-8H2,1-2H3
InChIKeyRKHVKVVIYGOMAR-UHFFFAOYSA-N
XLogP0.51
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-2-(2-methylpyrimidin-4-yl)morpholine-4-sulfonamide
CID 110096221
(2S)-2-(2-methylpyrimidin-4-yl)-4-[(4-methylsulfonylphenyl)methyl]morpholine
CID 124990207
(2R)-4-(cyclopropylmethyl)-2-(2-methylpyrimidin-4-yl)morpholine
CID 95843145
[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(1,3-thiazol-5-yl)methanone
CID 124977291
2-(2-methylpyrazol-3-yl)-4-propylsulfonylmorpholine
CID 138051484
[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-pyridin-2-ylmethanone
CID 125024334
2-(2-methylpyrimidin-4-yl)-4-(1H-pyrazol-5-ylmethyl)morpholine
CID 110112074
(2,4-dimethylpyrimidin-5-yl)-[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone
CID 124956680
[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-pyrazin-2-ylmethanone
CID 95845102
3-(2-ethylimidazol-1-yl)-1-[2-(2-methylpyrimidin-4-yl)morpholin-4-yl]propan-1-one
CID 110115823
[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(1H-pyrazol-5-yl)methanone
CID 124993182
(3-methyl-2-pyridinyl)-[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone
CID 124956752

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonyl-2-(2-methylpyrimidin-4-yl)morpholine?
The IUPAC name of 4-ethylsulfonyl-2-(2-methylpyrimidin-4-yl)morpholine (CID 110269895) is 4-ethylsulfonyl-2-(2-methylpyrimidin-4-yl)morpholine.
What is the SMILES notation for 4-ethylsulfonyl-2-(2-methylpyrimidin-4-yl)morpholine?
The canonical SMILES for 4-ethylsulfonyl-2-(2-methylpyrimidin-4-yl)morpholine is CCS(=O)(=O)N1CCOC(c2ccnc(C)n2)C1.
What is the InChIKey of 4-ethylsulfonyl-2-(2-methylpyrimidin-4-yl)morpholine?
The InChIKey is RKHVKVVIYGOMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-3-18(15,16)14-6-7-17-11(8-14)10-4-5-12-9(2)13-10/h4-5,11H,3,6-8H2,1-2H3.
What are the key properties of 4-ethylsulfonyl-2-(2-methylpyrimidin-4-yl)morpholine?
4-ethylsulfonyl-2-(2-methylpyrimidin-4-yl)morpholine has a molecular weight of 271.34 g/mol, XLogP of 0.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonyl-2-(2-methylpyrimidin-4-yl)morpholine is sourced from PubChem (CID 110269895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).