methyl 4-(2-pyridin-2-ylethylsulfonyl)morpholine-2-carboxylate

C13H18N2O5S — CID 78926034

IUPACmethyl 4-(2-pyridin-2-ylethylsulfonyl)morpholine-2-carboxylate
SMILESCOC(=O)C1CN(S(=O)(=O)CCc2ccccn2)CCO1
InChIInChI=1S/C13H18N2O5S/c1-19-13(16)12-10-15(7-8-20-12)21(17,18)9-5-11-4-2-3-6-14-11/h2-4,6,12H,5,7-10H2,1H3
InChIKeyVFXBWTAKXHGAEP-UHFFFAOYSA-N
MW314.36 g/mol
LogP-0.17
Rot. Bonds5

About methyl 4-(2-pyridin-2-ylethylsulfonyl)morpholine-2-carboxylate

methyl 4-(2-pyridin-2-ylethylsulfonyl)morpholine-2-carboxylate (PubChem CID 78926034) has the molecular formula C13H18N2O5S and a molecular weight of 314.36 g/mol. Its IUPAC name is methyl 4-(2-pyridin-2-ylethylsulfonyl)morpholine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-pyridin-2-ylethylsulfonyl)morpholine-2-carboxylate
PubChem CID78926034
Molecular FormulaC13H18N2O5S
Molecular Weight314.36 g/mol
Exact Mass314.09
IUPAC Namemethyl 4-(2-pyridin-2-ylethylsulfonyl)morpholine-2-carboxylate
SMILESCOC(=O)C1CN(S(=O)(=O)CCc2ccccn2)CCO1
InChIInChI=1S/C13H18N2O5S/c1-19-13(16)12-10-15(7-8-20-12)21(17,18)9-5-11-4-2-3-6-14-11/h2-4,6,12H,5,7-10H2,1H3
InChIKeyVFXBWTAKXHGAEP-UHFFFAOYSA-N
XLogP-0.17
TPSA85.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 5-0.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 1-(2-pyridin-2-ylethylsulfonyl)piperidine-3-carboxylate
CID 78920725
methyl 1-(2-pyridin-2-ylethylsulfonyl)pyrrolidine-2-carboxylate
CID 60865617
methyl 4-butylsulfonylmorpholine-2-carboxylate
CID 78927085
methyl 4-(3,3-dimethylbutylsulfonyl)morpholine-2-carboxylate
CID 113235493
(3S)-1-(2-pyridin-2-ylethylsulfonyl)pyrrolidin-3-ol
CID 79030740
1-(2-pyridin-2-ylethylsulfonyl)azetidin-3-ol
CID 63106619
ethyl 1-(2-pyridin-2-ylethylsulfonyl)piperidine-4-carboxylate
CID 23959675
methyl 4-(2-methoxy-2-oxoethyl)sulfonylmorpholine-2-carboxylate
CID 78996026
2-[1-(2-pyridin-2-ylethylsulfonyl)azetidin-3-yl]propanoic acid
CID 116681749
methyl 4-(4,4,4-trifluorobutylsulfonyl)morpholine-2-carboxylate
CID 83058661
methyl (2R,6R)-6-methyl-4-(2-pyridin-2-ylethyl)morpholine-2-carboxylate
CID 97064912
[1-(2-pyridin-2-ylethylsulfonyl)piperidin-4-yl]methanol
CID 54878771

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-pyridin-2-ylethylsulfonyl)morpholine-2-carboxylate?
The IUPAC name of methyl 4-(2-pyridin-2-ylethylsulfonyl)morpholine-2-carboxylate (CID 78926034) is methyl 4-(2-pyridin-2-ylethylsulfonyl)morpholine-2-carboxylate.
What is the SMILES notation for methyl 4-(2-pyridin-2-ylethylsulfonyl)morpholine-2-carboxylate?
The canonical SMILES for methyl 4-(2-pyridin-2-ylethylsulfonyl)morpholine-2-carboxylate is COC(=O)C1CN(S(=O)(=O)CCc2ccccn2)CCO1.
What is the InChIKey of methyl 4-(2-pyridin-2-ylethylsulfonyl)morpholine-2-carboxylate?
The InChIKey is VFXBWTAKXHGAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5S/c1-19-13(16)12-10-15(7-8-20-12)21(17,18)9-5-11-4-2-3-6-14-11/h2-4,6,12H,5,7-10H2,1H3.
What are the key properties of methyl 4-(2-pyridin-2-ylethylsulfonyl)morpholine-2-carboxylate?
methyl 4-(2-pyridin-2-ylethylsulfonyl)morpholine-2-carboxylate has a molecular weight of 314.36 g/mol, XLogP of -0.17, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-pyridin-2-ylethylsulfonyl)morpholine-2-carboxylate is sourced from PubChem (CID 78926034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).