(3S)-4-[6-(2-ethylsulfonylpropan-2-yl)pyrimidin-4-yl]-3-methylmorpholine

C14H23N3O3S — CID 141203702

IUPAC(3S)-4-[6-(2-ethylsulfonylpropan-2-yl)pyrimidin-4-yl]-3-methylmorpholine
SMILESCCS(=O)(=O)C(C)(C)c1cc(N2CCOC[C@@H]2C)ncn1
InChIInChI=1S/C14H23N3O3S/c1-5-21(18,19)14(3,4)12-8-13(16-10-15-12)17-6-7-20-9-11(17)2/h8,10-11H,5-7,9H2,1-4H3/t11-/m0/s1
InChIKeyHRWJCURLJFCDLB-NSHDSACASA-N
MW313.42 g/mol
LogP1.37
Rot. Bonds4

About (3S)-4-[6-(2-ethylsulfonylpropan-2-yl)pyrimidin-4-yl]-3-methylmorpholine

(3S)-4-[6-(2-ethylsulfonylpropan-2-yl)pyrimidin-4-yl]-3-methylmorpholine (PubChem CID 141203702) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is (3S)-4-[6-(2-ethylsulfonylpropan-2-yl)pyrimidin-4-yl]-3-methylmorpholine.

Molecular Properties

Compound Name(3S)-4-[6-(2-ethylsulfonylpropan-2-yl)pyrimidin-4-yl]-3-methylmorpholine
PubChem CID141203702
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name(3S)-4-[6-(2-ethylsulfonylpropan-2-yl)pyrimidin-4-yl]-3-methylmorpholine
SMILESCCS(=O)(=O)C(C)(C)c1cc(N2CCOC[C@@H]2C)ncn1
InChIInChI=1S/C14H23N3O3S/c1-5-21(18,19)14(3,4)12-8-13(16-10-15-12)17-6-7-20-9-11(17)2/h8,10-11H,5-7,9H2,1-4H3/t11-/m0/s1
InChIKeyHRWJCURLJFCDLB-NSHDSACASA-N
XLogP1.37
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-4-[6-[2-(4-chlorophenyl)sulfonylpropan-2-yl]pyrimidin-4-yl]-3-methylmorpholine
CID 141203751
(3R)-3-methyl-4-[6-(1-propan-2-ylsulfonylcyclopropyl)pyrimidin-4-yl]morpholine
CID 141272787
imino-methyl-[2-[6-[(3R)-3-methylmorpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]propan-2-yl]-oxo-λ6-sulfane
CID 166756320
1-[4-[(3S)-3-methylmorpholin-4-yl]-6-(2-methylsulfonylpropan-2-yl)pyrimidin-2-yl]piperidin-4-amine
CID 57427723
(3R)-4-[6-(4-cyclopropylsulfonylpiperidin-4-yl)pyrimidin-4-yl]-3-methylmorpholine
CID 141272792
4-[4-(2-cyclopropylsulfonylpropan-2-yl)-6-[(3S)-3-methylmorpholin-4-yl]pyrimidin-2-yl]aniline
CID 59380128
azane;3-methyl-4-pyrimidin-4-ylmorpholine
CID 175987866
(3S)-3-methyl-4-[6-[(1-methylpiperidin-4-yl)oxymethyl]pyrimidin-4-yl]morpholine
CID 141203774
N-[[5-chloro-2-(3-methylmorpholin-4-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 114925543
5-ethyl-6-(3-methylmorpholin-4-yl)pyrimidin-4-amine
CID 80780913
(3S)-3-methyl-4-[6-(2-methylsulfonylpropan-2-yl)-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-4-yl]morpholine
CID 25175884
2-[4-chloro-6-(3-methylmorpholin-4-yl)-2-pyridinyl]propan-2-ol
CID 166983217

Frequently Asked Questions

What is the IUPAC name of (3S)-4-[6-(2-ethylsulfonylpropan-2-yl)pyrimidin-4-yl]-3-methylmorpholine?
The IUPAC name of (3S)-4-[6-(2-ethylsulfonylpropan-2-yl)pyrimidin-4-yl]-3-methylmorpholine (CID 141203702) is (3S)-4-[6-(2-ethylsulfonylpropan-2-yl)pyrimidin-4-yl]-3-methylmorpholine.
What is the SMILES notation for (3S)-4-[6-(2-ethylsulfonylpropan-2-yl)pyrimidin-4-yl]-3-methylmorpholine?
The canonical SMILES for (3S)-4-[6-(2-ethylsulfonylpropan-2-yl)pyrimidin-4-yl]-3-methylmorpholine is CCS(=O)(=O)C(C)(C)c1cc(N2CCOC[C@@H]2C)ncn1.
What is the InChIKey of (3S)-4-[6-(2-ethylsulfonylpropan-2-yl)pyrimidin-4-yl]-3-methylmorpholine?
The InChIKey is HRWJCURLJFCDLB-NSHDSACASA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-5-21(18,19)14(3,4)12-8-13(16-10-15-12)17-6-7-20-9-11(17)2/h8,10-11H,5-7,9H2,1-4H3/t11-/m0/s1.
What are the key properties of (3S)-4-[6-(2-ethylsulfonylpropan-2-yl)pyrimidin-4-yl]-3-methylmorpholine?
(3S)-4-[6-(2-ethylsulfonylpropan-2-yl)pyrimidin-4-yl]-3-methylmorpholine has a molecular weight of 313.42 g/mol, XLogP of 1.37, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-[6-(2-ethylsulfonylpropan-2-yl)pyrimidin-4-yl]-3-methylmorpholine is sourced from PubChem (CID 141203702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).