cis-(1S,2R)-1-amino-2-(benzenesulfonyl)cyclopropane-1-carboxylic acid

C10H11NO4S — CID 99999201

IUPACcis-(1S,2R)-1-amino-2-(benzenesulfonyl)cyclopropane-1-carboxylic acid
SMILESN[C@]1(C(=O)O)C[C@H]1S(=O)(=O)c1ccccc1
InChIInChI=1S/C10H11NO4S/c11-10(9(12)13)6-8(10)16(14,15)7-4-2-1-3-5-7/h1-5,8H,6,11H2,(H,12,13)/t8-,10-/m1/s1
InChIKeyRYWVAVYJRGFBPJ-PSASIEDQSA-N
MW241.27 g/mol
LogP0.01
Rot. Bonds3

About cis-(1S,2R)-1-amino-2-(benzenesulfonyl)cyclopropane-1-carboxylic acid

cis-(1S,2R)-1-amino-2-(benzenesulfonyl)cyclopropane-1-carboxylic acid (PubChem CID 99999201) has the molecular formula C10H11NO4S and a molecular weight of 241.27 g/mol. Its IUPAC name is cis-(1S,2R)-1-amino-2-(benzenesulfonyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,2R)-1-amino-2-(benzenesulfonyl)cyclopropane-1-carboxylic acid
PubChem CID99999201
Molecular FormulaC10H11NO4S
Molecular Weight241.27 g/mol
Exact Mass241.04
IUPAC Namecis-(1S,2R)-1-amino-2-(benzenesulfonyl)cyclopropane-1-carboxylic acid
SMILESN[C@]1(C(=O)O)C[C@H]1S(=O)(=O)c1ccccc1
InChIInChI=1S/C10H11NO4S/c11-10(9(12)13)6-8(10)16(14,15)7-4-2-1-3-5-7/h1-5,8H,6,11H2,(H,12,13)/t8-,10-/m1/s1
InChIKeyRYWVAVYJRGFBPJ-PSASIEDQSA-N
XLogP0.01
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze cis-(1S,2R)-1-amino-2-(benzenesulfonyl)cyclopropane-1-carboxylic acid 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

[(1R)-2,2-dimethylcyclopropyl]sulfonylbenzene
CID 95562608
[(2S)-2-(benzenesulfonyl)-1-(hydroxymethyl)cyclopropyl]methanol
CID 99999155
[1-(aminomethyl)-2-(benzenesulfonyl)cyclopropyl]methanol
CID 102568969
trans-ethyl (1R,2R)-1-amino-2-(4-methylphenyl)sulfonylcyclopropane-1-carboxylate
CID 99999559
cis-ethyl (1S,2R)-1-(aminomethyl)-2-(benzenesulfonyl)cyclopropane-1-carboxylate
CID 99999029
(1S,2R,3R)-1-amino-2-(benzenesulfonyl)-3-phenylcyclopropane-1-carboxylic acid
CID 124745129
ethyl 1-amino-2-(4-chlorophenyl)sulfonylcyclopropane-1-carboxylate
CID 102569033
trans-(1S,2R)-2-(benzenesulfonyl)-1-phenylcyclopropane-1-carbonitrile
CID 11460276
15-aminotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid
CID 102209928
tert-butyl N-[(1S,2S)-1-(aminomethyl)-2-(benzenesulfonyl)cyclopropyl]carbamate
CID 99999101
1-amino-2-(2-fluorophenyl)cyclopropane-1-carboxylic acid
CID 53276275
cis-(1S,2S)-1-amino-2-(2-fluorophenyl)cyclopropane-1-carboxylic acid
CID 95002519

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-1-amino-2-(benzenesulfonyl)cyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1S,2R)-1-amino-2-(benzenesulfonyl)cyclopropane-1-carboxylic acid (CID 99999201) is cis-(1S,2R)-1-amino-2-(benzenesulfonyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,2R)-1-amino-2-(benzenesulfonyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1S,2R)-1-amino-2-(benzenesulfonyl)cyclopropane-1-carboxylic acid is N[C@]1(C(=O)O)C[C@H]1S(=O)(=O)c1ccccc1.
What is the InChIKey of cis-(1S,2R)-1-amino-2-(benzenesulfonyl)cyclopropane-1-carboxylic acid?
The InChIKey is RYWVAVYJRGFBPJ-PSASIEDQSA-N. The full InChI is InChI=1S/C10H11NO4S/c11-10(9(12)13)6-8(10)16(14,15)7-4-2-1-3-5-7/h1-5,8H,6,11H2,(H,12,13)/t8-,10-/m1/s1.
What are the key properties of cis-(1S,2R)-1-amino-2-(benzenesulfonyl)cyclopropane-1-carboxylic acid?
cis-(1S,2R)-1-amino-2-(benzenesulfonyl)cyclopropane-1-carboxylic acid has a molecular weight of 241.27 g/mol, XLogP of 0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-1-amino-2-(benzenesulfonyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 99999201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).