methyl 2-[1-[[4-(methylamino)oxan-3-yl]sulfonylmethyl]cyclopropyl]acetate

C13H23NO5S — CID 107778182

IUPACmethyl 2-[1-[[4-(methylamino)oxan-3-yl]sulfonylmethyl]cyclopropyl]acetate
SMILESCNC1CCOCC1S(=O)(=O)CC1(CC(=O)OC)CC1
InChIInChI=1S/C13H23NO5S/c1-14-10-3-6-19-8-11(10)20(16,17)9-13(4-5-13)7-12(15)18-2/h10-11,14H,3-9H2,1-2H3
InChIKeyCVXKPCTZHBTEAO-UHFFFAOYSA-N
MW305.40 g/mol
LogP0.12
Rot. Bonds6

About methyl 2-[1-[[4-(methylamino)oxan-3-yl]sulfonylmethyl]cyclopropyl]acetate

methyl 2-[1-[[4-(methylamino)oxan-3-yl]sulfonylmethyl]cyclopropyl]acetate (PubChem CID 107778182) has the molecular formula C13H23NO5S and a molecular weight of 305.40 g/mol. Its IUPAC name is methyl 2-[1-[[4-(methylamino)oxan-3-yl]sulfonylmethyl]cyclopropyl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-[[4-(methylamino)oxan-3-yl]sulfonylmethyl]cyclopropyl]acetate
PubChem CID107778182
Molecular FormulaC13H23NO5S
Molecular Weight305.40 g/mol
Exact Mass305.13
IUPAC Namemethyl 2-[1-[[4-(methylamino)oxan-3-yl]sulfonylmethyl]cyclopropyl]acetate
SMILESCNC1CCOCC1S(=O)(=O)CC1(CC(=O)OC)CC1
InChIInChI=1S/C13H23NO5S/c1-14-10-3-6-19-8-11(10)20(16,17)9-13(4-5-13)7-12(15)18-2/h10-11,14H,3-9H2,1-2H3
InChIKeyCVXKPCTZHBTEAO-UHFFFAOYSA-N
XLogP0.12
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[1-(cyclobutylsulfonylmethyl)cyclopropyl]acetate
CID 107776814
N-cyclopropyl-2-[4-(methylamino)oxan-3-yl]sulfonylacetamide
CID 114232783
methyl 2-[1-[(1,1-dioxothiolan-3-yl)sulfonylmethyl]cyclopropyl]acetate
CID 107776619
methyl 2-[1-(oxolan-2-ylmethylsulfonylmethyl)cyclopropyl]acetate
CID 107776635
methyl 2-[1-[(2-amino-5-ethylcyclohexyl)sulfonylmethyl]cyclopropyl]acetate
CID 107778198
N-methyl-3-pentylsulfonyloxan-4-amine
CID 107758700
methyl 3-[[1-(2-methoxy-2-oxoethyl)cyclopropyl]methylsulfonyl]butanoate
CID 107776563
methyl 2-[1-(2-ethylsulfonylethylsulfonylmethyl)cyclopropyl]acetate
CID 107776601
methyl 2-[1-[2-(methylamino)ethylsulfonylmethyl]cyclopropyl]acetate
CID 107778276
methyl 2-[1-(propylsulfonylmethyl)cyclopropyl]acetate
CID 107776725
methyl 4-(methylamino)oxane-3-carboxylate
CID 83846285
N-methyl-3-(3-methylcyclohexyl)sulfonyloxan-4-amine
CID 64676036

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[[4-(methylamino)oxan-3-yl]sulfonylmethyl]cyclopropyl]acetate?
The IUPAC name of methyl 2-[1-[[4-(methylamino)oxan-3-yl]sulfonylmethyl]cyclopropyl]acetate (CID 107778182) is methyl 2-[1-[[4-(methylamino)oxan-3-yl]sulfonylmethyl]cyclopropyl]acetate.
What is the SMILES notation for methyl 2-[1-[[4-(methylamino)oxan-3-yl]sulfonylmethyl]cyclopropyl]acetate?
The canonical SMILES for methyl 2-[1-[[4-(methylamino)oxan-3-yl]sulfonylmethyl]cyclopropyl]acetate is CNC1CCOCC1S(=O)(=O)CC1(CC(=O)OC)CC1.
What is the InChIKey of methyl 2-[1-[[4-(methylamino)oxan-3-yl]sulfonylmethyl]cyclopropyl]acetate?
The InChIKey is CVXKPCTZHBTEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO5S/c1-14-10-3-6-19-8-11(10)20(16,17)9-13(4-5-13)7-12(15)18-2/h10-11,14H,3-9H2,1-2H3.
What are the key properties of methyl 2-[1-[[4-(methylamino)oxan-3-yl]sulfonylmethyl]cyclopropyl]acetate?
methyl 2-[1-[[4-(methylamino)oxan-3-yl]sulfonylmethyl]cyclopropyl]acetate has a molecular weight of 305.40 g/mol, XLogP of 0.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[[4-(methylamino)oxan-3-yl]sulfonylmethyl]cyclopropyl]acetate is sourced from PubChem (CID 107778182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).