cis-(1R,3S)-3-(4,4,4-trifluorobutylsulfonylamino)cyclopentane-1-carboxylic acid

C10H16F3NO4S — CID 106321719

IUPACcis-(1R,3S)-3-(4,4,4-trifluorobutylsulfonylamino)cyclopentane-1-carboxylic acid
SMILESO=C(O)[C@@H]1CC[C@H](NS(=O)(=O)CCCC(F)(F)F)C1
InChIInChI=1S/C10H16F3NO4S/c11-10(12,13)4-1-5-19(17,18)14-8-3-2-7(6-8)9(15)16/h7-8,14H,1-6H2,(H,15,16)/t7-,8+/m1/s1
InChIKeyRLDRYGCGFUIBNV-SFYZADRCSA-N
MW303.30 g/mol
LogP1.50
Rot. Bonds6

About cis-(1R,3S)-3-(4,4,4-trifluorobutylsulfonylamino)cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-(4,4,4-trifluorobutylsulfonylamino)cyclopentane-1-carboxylic acid (PubChem CID 106321719) has the molecular formula C10H16F3NO4S and a molecular weight of 303.30 g/mol. Its IUPAC name is cis-(1R,3S)-3-(4,4,4-trifluorobutylsulfonylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-(4,4,4-trifluorobutylsulfonylamino)cyclopentane-1-carboxylic acid
PubChem CID106321719
Molecular FormulaC10H16F3NO4S
Molecular Weight303.30 g/mol
Exact Mass303.08
IUPAC Namecis-(1R,3S)-3-(4,4,4-trifluorobutylsulfonylamino)cyclopentane-1-carboxylic acid
SMILESO=C(O)[C@@H]1CC[C@H](NS(=O)(=O)CCCC(F)(F)F)C1
InChIInChI=1S/C10H16F3NO4S/c11-10(12,13)4-1-5-19(17,18)14-8-3-2-7(6-8)9(15)16/h7-8,14H,1-6H2,(H,15,16)/t7-,8+/m1/s1
InChIKeyRLDRYGCGFUIBNV-SFYZADRCSA-N
XLogP1.50
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.30
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze cis-(1R,3S)-3-(4,4,4-trifluorobutylsulfonylamino)cyclopentane-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

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-(4,4,4-trifluorobutylsulfonylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-(4,4,4-trifluorobutylsulfonylamino)cyclopentane-1-carboxylic acid (CID 106321719) is cis-(1R,3S)-3-(4,4,4-trifluorobutylsulfonylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-(4,4,4-trifluorobutylsulfonylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-(4,4,4-trifluorobutylsulfonylamino)cyclopentane-1-carboxylic acid is O=C(O)[C@@H]1CC[C@H](NS(=O)(=O)CCCC(F)(F)F)C1.
What is the InChIKey of cis-(1R,3S)-3-(4,4,4-trifluorobutylsulfonylamino)cyclopentane-1-carboxylic acid?
The InChIKey is RLDRYGCGFUIBNV-SFYZADRCSA-N. The full InChI is InChI=1S/C10H16F3NO4S/c11-10(12,13)4-1-5-19(17,18)14-8-3-2-7(6-8)9(15)16/h7-8,14H,1-6H2,(H,15,16)/t7-,8+/m1/s1.
What are the key properties of cis-(1R,3S)-3-(4,4,4-trifluorobutylsulfonylamino)cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-(4,4,4-trifluorobutylsulfonylamino)cyclopentane-1-carboxylic acid has a molecular weight of 303.30 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-(4,4,4-trifluorobutylsulfonylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106321719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).