cis-ethyl (1R,2S)-1-amino-2-ethylsulfonylcyclopropane-1-carboxylate

C8H15NO4S — CID 99998706

IUPACcis-ethyl (1R,2S)-1-amino-2-ethylsulfonylcyclopropane-1-carboxylate
SMILESCCOC(=O)[C@]1(N)C[C@@H]1S(=O)(=O)CC
InChIInChI=1S/C8H15NO4S/c1-3-13-7(10)8(9)5-6(8)14(11,12)4-2/h6H,3-5,9H2,1-2H3/t6-,8-/m0/s1
InChIKeyPHRKXIGTOITNCZ-XPUUQOCRSA-N
MW221.28 g/mol
LogP-0.55
Rot. Bonds4

About cis-ethyl (1R,2S)-1-amino-2-ethylsulfonylcyclopropane-1-carboxylate

cis-ethyl (1R,2S)-1-amino-2-ethylsulfonylcyclopropane-1-carboxylate (PubChem CID 99998706) has the molecular formula C8H15NO4S and a molecular weight of 221.28 g/mol. Its IUPAC name is cis-ethyl (1R,2S)-1-amino-2-ethylsulfonylcyclopropane-1-carboxylate.

Molecular Properties

Compound Namecis-ethyl (1R,2S)-1-amino-2-ethylsulfonylcyclopropane-1-carboxylate
PubChem CID99998706
Molecular FormulaC8H15NO4S
Molecular Weight221.28 g/mol
Exact Mass221.07
IUPAC Namecis-ethyl (1R,2S)-1-amino-2-ethylsulfonylcyclopropane-1-carboxylate
SMILESCCOC(=O)[C@]1(N)C[C@@H]1S(=O)(=O)CC
InChIInChI=1S/C8H15NO4S/c1-3-13-7(10)8(9)5-6(8)14(11,12)4-2/h6H,3-5,9H2,1-2H3/t6-,8-/m0/s1
InChIKeyPHRKXIGTOITNCZ-XPUUQOCRSA-N
XLogP-0.55
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
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

Analyze cis-ethyl (1R,2S)-1-amino-2-ethylsulfonylcyclopropane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

trans-ethyl (1R,2R)-1-amino-2-(4-methylphenyl)sulfonylcyclopropane-1-carboxylate
CID 99999559
ethyl 1-amino-2-(4-chlorophenyl)sulfonylcyclopropane-1-carboxylate
CID 102569033
ethyl 1-amino-2,3-dimethylcyclobutane-1-carboxylate
CID 130703819
diethyl (2R)-2-methylsulfonylcyclopropane-1,1-dicarboxylate
CID 99998367
diethyl 2-methylsulfonylcyclopropane-1,1-dicarboxylate
CID 102568908
ethyl (2S)-1-amino-2-ethenylcyclopropane-1-carboxylate;hydrochloride
CID 69120014
ethyl 2-cyclopropylsulfonylacetate
CID 56604727
diethyl 2-fluorocyclopropane-1,1-dicarboxylate
CID 134464391
ethyl 8-methyltricyclo[3.2.1.03,8]octane-3-carboxylate
CID 143508275
ethyl (1R,2R,4R)-1-cyano-4-ethylsulfonyl-2-methylcyclopentane-1-carboxylate
CID 124748876
ethyl 1-(3,3-difluorocyclobutyl)sulfonylcyclopropane-1-carboxylate
CID 146442008
ethyl 3-aminobicyclo[1.1.1]pentane-1-carboxylate
CID 122237424

Frequently Asked Questions

What is the IUPAC name of cis-ethyl (1R,2S)-1-amino-2-ethylsulfonylcyclopropane-1-carboxylate?
The IUPAC name of cis-ethyl (1R,2S)-1-amino-2-ethylsulfonylcyclopropane-1-carboxylate (CID 99998706) is cis-ethyl (1R,2S)-1-amino-2-ethylsulfonylcyclopropane-1-carboxylate.
What is the SMILES notation for cis-ethyl (1R,2S)-1-amino-2-ethylsulfonylcyclopropane-1-carboxylate?
The canonical SMILES for cis-ethyl (1R,2S)-1-amino-2-ethylsulfonylcyclopropane-1-carboxylate is CCOC(=O)[C@]1(N)C[C@@H]1S(=O)(=O)CC.
What is the InChIKey of cis-ethyl (1R,2S)-1-amino-2-ethylsulfonylcyclopropane-1-carboxylate?
The InChIKey is PHRKXIGTOITNCZ-XPUUQOCRSA-N. The full InChI is InChI=1S/C8H15NO4S/c1-3-13-7(10)8(9)5-6(8)14(11,12)4-2/h6H,3-5,9H2,1-2H3/t6-,8-/m0/s1.
What are the key properties of cis-ethyl (1R,2S)-1-amino-2-ethylsulfonylcyclopropane-1-carboxylate?
cis-ethyl (1R,2S)-1-amino-2-ethylsulfonylcyclopropane-1-carboxylate has a molecular weight of 221.28 g/mol, XLogP of -0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-ethyl (1R,2S)-1-amino-2-ethylsulfonylcyclopropane-1-carboxylate is sourced from PubChem (CID 99998706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).