methyl 2-[1-[(4-methylmorpholin-2-yl)methylsulfinylmethyl]cyclopropyl]acetate

C13H23NO4S — CID 107777987

IUPACmethyl 2-[1-[(4-methylmorpholin-2-yl)methylsulfinylmethyl]cyclopropyl]acetate
SMILESCOC(=O)CC1(CS(=O)CC2CN(C)CCO2)CC1
InChIInChI=1S/C13H23NO4S/c1-14-5-6-18-11(8-14)9-19(16)10-13(3-4-13)7-12(15)17-2/h11H,3-10H2,1-2H3
InChIKeyRDLOJTIUXYKKNH-UHFFFAOYSA-N
MW289.40 g/mol
LogP0.41
Rot. Bonds6

About methyl 2-[1-[(4-methylmorpholin-2-yl)methylsulfinylmethyl]cyclopropyl]acetate

methyl 2-[1-[(4-methylmorpholin-2-yl)methylsulfinylmethyl]cyclopropyl]acetate (PubChem CID 107777987) has the molecular formula C13H23NO4S and a molecular weight of 289.40 g/mol. Its IUPAC name is methyl 2-[1-[(4-methylmorpholin-2-yl)methylsulfinylmethyl]cyclopropyl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-[(4-methylmorpholin-2-yl)methylsulfinylmethyl]cyclopropyl]acetate
PubChem CID107777987
Molecular FormulaC13H23NO4S
Molecular Weight289.40 g/mol
Exact Mass289.13
IUPAC Namemethyl 2-[1-[(4-methylmorpholin-2-yl)methylsulfinylmethyl]cyclopropyl]acetate
SMILESCOC(=O)CC1(CS(=O)CC2CN(C)CCO2)CC1
InChIInChI=1S/C13H23NO4S/c1-14-5-6-18-11(8-14)9-19(16)10-13(3-4-13)7-12(15)17-2/h11H,3-10H2,1-2H3
InChIKeyRDLOJTIUXYKKNH-UHFFFAOYSA-N
XLogP0.41
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[4-[(4-methylmorpholin-2-yl)methyl]piperazin-1-yl]propanoate
CID 78945334
methyl 4-[(4-methylmorpholin-2-yl)methylamino]butanoate
CID 78967404
methyl 2-[1-(2-methylsulfonylethylsulfinylmethyl)cyclopropyl]acetate
CID 107777735
methyl 2-[(4-methylmorpholin-2-yl)methylamino]-2-oxoacetate
CID 112617409
methyl 2-[1-[(2,6-dimethylphenyl)methylsulfinylmethyl]cyclopropyl]acetate
CID 107777825
methyl 2-[1-[(1-methylpyrazol-4-yl)methylsulfinylmethyl]cyclopropyl]acetate
CID 107777810
methyl 2-[1-[(2-methyltetrazol-5-yl)methylsulfinylmethyl]cyclopropyl]acetate
CID 107777875
1-(methoxymethyl)-N-[(4-methylmorpholin-2-yl)methyl]cyclobutane-1-carboxamide
CID 122566549
N-[[(2S)-4-methylmorpholin-2-yl]methyl]acetamide
CID 170608678
N-[(4-methylmorpholin-2-yl)methyl]acetamide
CID 69087754
methyl 2-methyl-3-[(4-methylmorpholin-2-yl)methylsulfonyl]propanoate
CID 79171422
methyl 2-[1-(1,3-thiazol-5-ylmethylsulfinylmethyl)cyclopropyl]acetate
CID 107777752

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[(4-methylmorpholin-2-yl)methylsulfinylmethyl]cyclopropyl]acetate?
The IUPAC name of methyl 2-[1-[(4-methylmorpholin-2-yl)methylsulfinylmethyl]cyclopropyl]acetate (CID 107777987) is methyl 2-[1-[(4-methylmorpholin-2-yl)methylsulfinylmethyl]cyclopropyl]acetate.
What is the SMILES notation for methyl 2-[1-[(4-methylmorpholin-2-yl)methylsulfinylmethyl]cyclopropyl]acetate?
The canonical SMILES for methyl 2-[1-[(4-methylmorpholin-2-yl)methylsulfinylmethyl]cyclopropyl]acetate is COC(=O)CC1(CS(=O)CC2CN(C)CCO2)CC1.
What is the InChIKey of methyl 2-[1-[(4-methylmorpholin-2-yl)methylsulfinylmethyl]cyclopropyl]acetate?
The InChIKey is RDLOJTIUXYKKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4S/c1-14-5-6-18-11(8-14)9-19(16)10-13(3-4-13)7-12(15)17-2/h11H,3-10H2,1-2H3.
What are the key properties of methyl 2-[1-[(4-methylmorpholin-2-yl)methylsulfinylmethyl]cyclopropyl]acetate?
methyl 2-[1-[(4-methylmorpholin-2-yl)methylsulfinylmethyl]cyclopropyl]acetate has a molecular weight of 289.40 g/mol, XLogP of 0.41, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[(4-methylmorpholin-2-yl)methylsulfinylmethyl]cyclopropyl]acetate is sourced from PubChem (CID 107777987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).