cis-(1R,3R)-3-[[(2-cyclopropyl-1,3-thiazol-5-yl)sulfonylamino]methyl]-3-fluorocyclopentane-1-carboxylic acid

C13H17FN2O4S2 — CID 166287988

IUPACcis-(1R,3R)-3-[[(2-cyclopropyl-1,3-thiazol-5-yl)sulfonylamino]methyl]-3-fluorocyclopentane-1-carboxylic acid
SMILESO=C(O)[C@@H]1CC[C@](F)(CNS(=O)(=O)c2cnc(C3CC3)s2)C1
InChIInChI=1S/C13H17FN2O4S2/c14-13(4-3-9(5-13)12(17)18)7-16-22(19,20)10-6-15-11(21-10)8-1-2-8/h6,8-9,16H,1-5,7H2,(H,17,18)/t9-,13-/m1/s1
InChIKeyABCLZPJYNWLCSF-NOZJJQNGSA-N
MW348.42 g/mol
LogP1.89
Rot. Bonds6

About cis-(1R,3R)-3-[[(2-cyclopropyl-1,3-thiazol-5-yl)sulfonylamino]methyl]-3-fluorocyclopentane-1-carboxylic acid

cis-(1R,3R)-3-[[(2-cyclopropyl-1,3-thiazol-5-yl)sulfonylamino]methyl]-3-fluorocyclopentane-1-carboxylic acid (PubChem CID 166287988) has the molecular formula C13H17FN2O4S2 and a molecular weight of 348.42 g/mol. Its IUPAC name is cis-(1R,3R)-3-[[(2-cyclopropyl-1,3-thiazol-5-yl)sulfonylamino]methyl]-3-fluorocyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3R)-3-[[(2-cyclopropyl-1,3-thiazol-5-yl)sulfonylamino]methyl]-3-fluorocyclopentane-1-carboxylic acid
PubChem CID166287988
Molecular FormulaC13H17FN2O4S2
Molecular Weight348.42 g/mol
Exact Mass348.06
IUPAC Namecis-(1R,3R)-3-[[(2-cyclopropyl-1,3-thiazol-5-yl)sulfonylamino]methyl]-3-fluorocyclopentane-1-carboxylic acid
SMILESO=C(O)[C@@H]1CC[C@](F)(CNS(=O)(=O)c2cnc(C3CC3)s2)C1
InChIInChI=1S/C13H17FN2O4S2/c14-13(4-3-9(5-13)12(17)18)7-16-22(19,20)10-6-15-11(21-10)8-1-2-8/h6,8-9,16H,1-5,7H2,(H,17,18)/t9-,13-/m1/s1
InChIKeyABCLZPJYNWLCSF-NOZJJQNGSA-N
XLogP1.89
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze cis-(1R,3R)-3-[[(2-cyclopropyl-1,3-thiazol-5-yl)sulfonylamino]methyl]-3-fluorocyclopentane-1-carboxylic acid with MolForge

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Related Compounds

3-[(2-cyclopropyl-1,3-thiazol-5-yl)sulfonylamino]-4,4-difluoro-3-methylbutanoic acid
CID 167945305
4-[[(2,3-dimethylphenyl)sulfonylamino]methyl]-4-fluorocyclohexane-1-carboxylic acid
CID 166291909
4-fluoro-4-[[(2-fluoro-6-methylphenyl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid
CID 166292111
4-[[(5-chlorofuran-2-yl)sulfonylamino]methyl]-4-fluorocyclohexane-1-carboxylic acid
CID 166292113
3-fluoro-3-[(propan-2-ylamino)methyl]cyclopentane-1-carboxylic acid
CID 105455445
2-cyclopropyl-1,3-thiazole-5-sulfonyl chloride
CID 122163904
trans-(1R,3S)-3-[(azocane-1-carbonylamino)methyl]-3-fluorocyclopentane-1-carboxylic acid
CID 166287159
3-fluoro-3-[(2-methylpropylamino)methyl]cyclopentane-1-carboxylic acid
CID 105471452
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methyl-1,3-thiazole-5-sulfonamide
CID 103847940
2-[(2-cyclopropyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 115731158
N-[2-(3,3-difluorocyclobutyl)-1,3-thiazol-5-yl]cyclobutanecarboxamide
CID 162773619
1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]-5,5-difluoropiperidine-3-carboxylic acid
CID 166267914

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3R)-3-[[(2-cyclopropyl-1,3-thiazol-5-yl)sulfonylamino]methyl]-3-fluorocyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3R)-3-[[(2-cyclopropyl-1,3-thiazol-5-yl)sulfonylamino]methyl]-3-fluorocyclopentane-1-carboxylic acid (CID 166287988) is cis-(1R,3R)-3-[[(2-cyclopropyl-1,3-thiazol-5-yl)sulfonylamino]methyl]-3-fluorocyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3R)-3-[[(2-cyclopropyl-1,3-thiazol-5-yl)sulfonylamino]methyl]-3-fluorocyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3R)-3-[[(2-cyclopropyl-1,3-thiazol-5-yl)sulfonylamino]methyl]-3-fluorocyclopentane-1-carboxylic acid is O=C(O)[C@@H]1CC[C@](F)(CNS(=O)(=O)c2cnc(C3CC3)s2)C1.
What is the InChIKey of cis-(1R,3R)-3-[[(2-cyclopropyl-1,3-thiazol-5-yl)sulfonylamino]methyl]-3-fluorocyclopentane-1-carboxylic acid?
The InChIKey is ABCLZPJYNWLCSF-NOZJJQNGSA-N. The full InChI is InChI=1S/C13H17FN2O4S2/c14-13(4-3-9(5-13)12(17)18)7-16-22(19,20)10-6-15-11(21-10)8-1-2-8/h6,8-9,16H,1-5,7H2,(H,17,18)/t9-,13-/m1/s1.
What are the key properties of cis-(1R,3R)-3-[[(2-cyclopropyl-1,3-thiazol-5-yl)sulfonylamino]methyl]-3-fluorocyclopentane-1-carboxylic acid?
cis-(1R,3R)-3-[[(2-cyclopropyl-1,3-thiazol-5-yl)sulfonylamino]methyl]-3-fluorocyclopentane-1-carboxylic acid has a molecular weight of 348.42 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3R)-3-[[(2-cyclopropyl-1,3-thiazol-5-yl)sulfonylamino]methyl]-3-fluorocyclopentane-1-carboxylic acid is sourced from PubChem (CID 166287988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).