methyl 2-(4-propan-2-ylsulfonylmorpholin-2-yl)acetate

C10H19NO5S — CID 79769803

IUPACmethyl 2-(4-propan-2-ylsulfonylmorpholin-2-yl)acetate
SMILESCOC(=O)CC1CN(S(=O)(=O)C(C)C)CCO1
InChIInChI=1S/C10H19NO5S/c1-8(2)17(13,14)11-4-5-16-9(7-11)6-10(12)15-3/h8-9H,4-7H2,1-3H3
InChIKeyRYVPIHRRKDNPFD-UHFFFAOYSA-N
MW265.33 g/mol
LogP-0.01
Rot. Bonds4

About methyl 2-(4-propan-2-ylsulfonylmorpholin-2-yl)acetate

methyl 2-(4-propan-2-ylsulfonylmorpholin-2-yl)acetate (PubChem CID 79769803) has the molecular formula C10H19NO5S and a molecular weight of 265.33 g/mol. Its IUPAC name is methyl 2-(4-propan-2-ylsulfonylmorpholin-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(4-propan-2-ylsulfonylmorpholin-2-yl)acetate
PubChem CID79769803
Molecular FormulaC10H19NO5S
Molecular Weight265.33 g/mol
Exact Mass265.10
IUPAC Namemethyl 2-(4-propan-2-ylsulfonylmorpholin-2-yl)acetate
SMILESCOC(=O)CC1CN(S(=O)(=O)C(C)C)CCO1
InChIInChI=1S/C10H19NO5S/c1-8(2)17(13,14)11-4-5-16-9(7-11)6-10(12)15-3/h8-9H,4-7H2,1-3H3
InChIKeyRYVPIHRRKDNPFD-UHFFFAOYSA-N
XLogP-0.01
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 5-0.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-propan-2-ylsulfonylmorpholin-2-yl)acetate?
The IUPAC name of methyl 2-(4-propan-2-ylsulfonylmorpholin-2-yl)acetate (CID 79769803) is methyl 2-(4-propan-2-ylsulfonylmorpholin-2-yl)acetate.
What is the SMILES notation for methyl 2-(4-propan-2-ylsulfonylmorpholin-2-yl)acetate?
The canonical SMILES for methyl 2-(4-propan-2-ylsulfonylmorpholin-2-yl)acetate is COC(=O)CC1CN(S(=O)(=O)C(C)C)CCO1.
What is the InChIKey of methyl 2-(4-propan-2-ylsulfonylmorpholin-2-yl)acetate?
The InChIKey is RYVPIHRRKDNPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO5S/c1-8(2)17(13,14)11-4-5-16-9(7-11)6-10(12)15-3/h8-9H,4-7H2,1-3H3.
What are the key properties of methyl 2-(4-propan-2-ylsulfonylmorpholin-2-yl)acetate?
methyl 2-(4-propan-2-ylsulfonylmorpholin-2-yl)acetate has a molecular weight of 265.33 g/mol, XLogP of -0.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-propan-2-ylsulfonylmorpholin-2-yl)acetate is sourced from PubChem (CID 79769803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).