methyl 2-[(2-amino-2-cyclopropylethyl)sulfamoyl]acetate

C8H16N2O4S — CID 115301229

IUPACmethyl 2-[(2-amino-2-cyclopropylethyl)sulfamoyl]acetate
SMILESCOC(=O)CS(=O)(=O)NCC(N)C1CC1
InChIInChI=1S/C8H16N2O4S/c1-14-8(11)5-15(12,13)10-4-7(9)6-2-3-6/h6-7,10H,2-5,9H2,1H3
InChIKeyNVNQEHVXZOQPHM-UHFFFAOYSA-N
MW236.29 g/mol
LogP-1.18
Rot. Bonds6

About methyl 2-[(2-amino-2-cyclopropylethyl)sulfamoyl]acetate

methyl 2-[(2-amino-2-cyclopropylethyl)sulfamoyl]acetate (PubChem CID 115301229) has the molecular formula C8H16N2O4S and a molecular weight of 236.29 g/mol. Its IUPAC name is methyl 2-[(2-amino-2-cyclopropylethyl)sulfamoyl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-amino-2-cyclopropylethyl)sulfamoyl]acetate
PubChem CID115301229
Molecular FormulaC8H16N2O4S
Molecular Weight236.29 g/mol
Exact Mass236.08
IUPAC Namemethyl 2-[(2-amino-2-cyclopropylethyl)sulfamoyl]acetate
SMILESCOC(=O)CS(=O)(=O)NCC(N)C1CC1
InChIInChI=1S/C8H16N2O4S/c1-14-8(11)5-15(12,13)10-4-7(9)6-2-3-6/h6-7,10H,2-5,9H2,1H3
InChIKeyNVNQEHVXZOQPHM-UHFFFAOYSA-N
XLogP-1.18
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 5-1.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(2-methylpropylsulfamoyl)acetate
CID 63928470
methyl 3-amino-3-cyclopropylpropanoate;hydrochloride
CID 71755746
[1-amino-2-(sulfamoylamino)ethyl]cyclopropane
CID 114959424
methyl (4R)-4-amino-4-cyclopropylbutanoate
CID 169118998
N-(2-amino-2-cyclopropylethyl)propane-2-sulfonamide
CID 63764902
methyl 4-[(2-amino-2-cyclopropylethyl)sulfamoyl]benzoate;hydrochloride
CID 120582816
2-[[(2-methoxy-2-oxoethyl)sulfonylamino]methyl]pentanoic acid
CID 65222422
2-[[(2-methoxy-2-oxoethyl)sulfonylamino]methyl]-4,4-dimethylpentanoic acid
CID 107474747
methyl 2-[2-(2-hydroxyethyl)pentylsulfamoyl]acetate
CID 103836410
methyl 2-[(2-amino-2-cyclopropylethyl)sulfamoyl]benzoate;hydrochloride
CID 120582633
2-cyclohexyl-2-[(2-methoxy-2-oxoethyl)sulfonylamino]acetic acid
CID 61358761
methyl 2-(3-aminobutan-2-ylsulfonyl)acetate
CID 64676350

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-amino-2-cyclopropylethyl)sulfamoyl]acetate?
The IUPAC name of methyl 2-[(2-amino-2-cyclopropylethyl)sulfamoyl]acetate (CID 115301229) is methyl 2-[(2-amino-2-cyclopropylethyl)sulfamoyl]acetate.
What is the SMILES notation for methyl 2-[(2-amino-2-cyclopropylethyl)sulfamoyl]acetate?
The canonical SMILES for methyl 2-[(2-amino-2-cyclopropylethyl)sulfamoyl]acetate is COC(=O)CS(=O)(=O)NCC(N)C1CC1.
What is the InChIKey of methyl 2-[(2-amino-2-cyclopropylethyl)sulfamoyl]acetate?
The InChIKey is NVNQEHVXZOQPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O4S/c1-14-8(11)5-15(12,13)10-4-7(9)6-2-3-6/h6-7,10H,2-5,9H2,1H3.
What are the key properties of methyl 2-[(2-amino-2-cyclopropylethyl)sulfamoyl]acetate?
methyl 2-[(2-amino-2-cyclopropylethyl)sulfamoyl]acetate has a molecular weight of 236.29 g/mol, XLogP of -1.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-amino-2-cyclopropylethyl)sulfamoyl]acetate is sourced from PubChem (CID 115301229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).