methyl 2-(3-aminocyclopentyl)sulfonylacetate

C8H15NO4S — CID 64722434

IUPACmethyl 2-(3-aminocyclopentyl)sulfonylacetate
SMILESCOC(=O)CS(=O)(=O)C1CCC(N)C1
InChIInChI=1S/C8H15NO4S/c1-13-8(10)5-14(11,12)7-3-2-6(9)4-7/h6-7H,2-5,9H2,1H3
InChIKeyAXQQWYQQCSXNMO-UHFFFAOYSA-N
MW221.28 g/mol
LogP-0.55
Rot. Bonds3

About methyl 2-(3-aminocyclopentyl)sulfonylacetate

methyl 2-(3-aminocyclopentyl)sulfonylacetate (PubChem CID 64722434) has the molecular formula C8H15NO4S and a molecular weight of 221.28 g/mol. Its IUPAC name is methyl 2-(3-aminocyclopentyl)sulfonylacetate.

Molecular Properties

Compound Namemethyl 2-(3-aminocyclopentyl)sulfonylacetate
PubChem CID64722434
Molecular FormulaC8H15NO4S
Molecular Weight221.28 g/mol
Exact Mass221.07
IUPAC Namemethyl 2-(3-aminocyclopentyl)sulfonylacetate
SMILESCOC(=O)CS(=O)(=O)C1CCC(N)C1
InChIInChI=1S/C8H15NO4S/c1-13-8(10)5-14(11,12)7-3-2-6(9)4-7/h6-7H,2-5,9H2,1H3
InChIKeyAXQQWYQQCSXNMO-UHFFFAOYSA-N
XLogP-0.55
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(azetidin-3-ylsulfonyl)acetate
CID 68602018
methyl 2-(2-amino-5-ethylcyclohexyl)sulfonylacetate
CID 64674378
methyl 2-(azetidin-3-ylsulfonyl)acetate;hydrochloride
CID 72716317
ethyl 2-cyclopropylsulfonylacetate
CID 56604727
methyl 2-[(3S)-1,1-dioxothiolan-3-yl]sulfonylacetate
CID 7361246
methyl 2-(2-amino-3,3-dimethylcyclopentyl)sulfonylacetate
CID 79863132
methyl 2-(2-amino-3,3-dimethylcyclohexyl)sulfonylacetate
CID 79847225
methyl 2-[[(1R,3S)-3-aminocyclopentyl]methylamino]acetate
CID 165443865
ethyl 2-(3-methylcyclohexyl)sulfonylacetate
CID 62720621
cis-(1S,3R)-3-aminocyclopentane-1-sulfonamide
CID 125472370
methyl 2-(3-amino-5-methylpiperidin-1-yl)sulfonylacetate
CID 79992863
ethyl 3-(4-aminocyclohexyl)sulfonylpropanoate
CID 134086046

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-aminocyclopentyl)sulfonylacetate?
The IUPAC name of methyl 2-(3-aminocyclopentyl)sulfonylacetate (CID 64722434) is methyl 2-(3-aminocyclopentyl)sulfonylacetate.
What is the SMILES notation for methyl 2-(3-aminocyclopentyl)sulfonylacetate?
The canonical SMILES for methyl 2-(3-aminocyclopentyl)sulfonylacetate is COC(=O)CS(=O)(=O)C1CCC(N)C1.
What is the InChIKey of methyl 2-(3-aminocyclopentyl)sulfonylacetate?
The InChIKey is AXQQWYQQCSXNMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4S/c1-13-8(10)5-14(11,12)7-3-2-6(9)4-7/h6-7H,2-5,9H2,1H3.
What are the key properties of methyl 2-(3-aminocyclopentyl)sulfonylacetate?
methyl 2-(3-aminocyclopentyl)sulfonylacetate has a molecular weight of 221.28 g/mol, XLogP of -0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-aminocyclopentyl)sulfonylacetate is sourced from PubChem (CID 64722434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).