cis-(1R,2R)-1-amino-N-[1-(fluoromethyl)cyclopropyl]sulfonyl-2-methylcyclopropane-1-carboxamide

C9H15FN2O3S — CID 90128179

IUPACcis-(1R,2R)-1-amino-N-[1-(fluoromethyl)cyclopropyl]sulfonyl-2-methylcyclopropane-1-carboxamide
SMILESC[C@@H]1C[C@]1(N)C(=O)NS(=O)(=O)C1(CF)CC1
InChIInChI=1S/C9H15FN2O3S/c1-6-4-9(6,11)7(13)12-16(14,15)8(5-10)2-3-8/h6H,2-5,11H2,1H3,(H,12,13)/t6-,9-/m1/s1
InChIKeyUXVQBAVHYUDEAG-HZGVNTEJSA-N
MW250.29 g/mol
LogP-0.33
Rot. Bonds4

About cis-(1R,2R)-1-amino-N-[1-(fluoromethyl)cyclopropyl]sulfonyl-2-methylcyclopropane-1-carboxamide

cis-(1R,2R)-1-amino-N-[1-(fluoromethyl)cyclopropyl]sulfonyl-2-methylcyclopropane-1-carboxamide (PubChem CID 90128179) has the molecular formula C9H15FN2O3S and a molecular weight of 250.29 g/mol. Its IUPAC name is cis-(1R,2R)-1-amino-N-[1-(fluoromethyl)cyclopropyl]sulfonyl-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2R)-1-amino-N-[1-(fluoromethyl)cyclopropyl]sulfonyl-2-methylcyclopropane-1-carboxamide
PubChem CID90128179
Molecular FormulaC9H15FN2O3S
Molecular Weight250.29 g/mol
Exact Mass250.08
IUPAC Namecis-(1R,2R)-1-amino-N-[1-(fluoromethyl)cyclopropyl]sulfonyl-2-methylcyclopropane-1-carboxamide
SMILESC[C@@H]1C[C@]1(N)C(=O)NS(=O)(=O)C1(CF)CC1
InChIInChI=1S/C9H15FN2O3S/c1-6-4-9(6,11)7(13)12-16(14,15)8(5-10)2-3-8/h6H,2-5,11H2,1H3,(H,12,13)/t6-,9-/m1/s1
InChIKeyUXVQBAVHYUDEAG-HZGVNTEJSA-N
XLogP-0.33
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze cis-(1R,2R)-1-amino-N-[1-(fluoromethyl)cyclopropyl]sulfonyl-2-methylcyclopropane-1-carboxamide 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,2R)-1-amino-N-[1-(fluoromethyl)cyclopropyl]sulfonyl-2-methylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2R)-1-amino-N-[1-(fluoromethyl)cyclopropyl]sulfonyl-2-methylcyclopropane-1-carboxamide (CID 90128179) is cis-(1R,2R)-1-amino-N-[1-(fluoromethyl)cyclopropyl]sulfonyl-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2R)-1-amino-N-[1-(fluoromethyl)cyclopropyl]sulfonyl-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2R)-1-amino-N-[1-(fluoromethyl)cyclopropyl]sulfonyl-2-methylcyclopropane-1-carboxamide is C[C@@H]1C[C@]1(N)C(=O)NS(=O)(=O)C1(CF)CC1.
What is the InChIKey of cis-(1R,2R)-1-amino-N-[1-(fluoromethyl)cyclopropyl]sulfonyl-2-methylcyclopropane-1-carboxamide?
The InChIKey is UXVQBAVHYUDEAG-HZGVNTEJSA-N. The full InChI is InChI=1S/C9H15FN2O3S/c1-6-4-9(6,11)7(13)12-16(14,15)8(5-10)2-3-8/h6H,2-5,11H2,1H3,(H,12,13)/t6-,9-/m1/s1.
What are the key properties of cis-(1R,2R)-1-amino-N-[1-(fluoromethyl)cyclopropyl]sulfonyl-2-methylcyclopropane-1-carboxamide?
cis-(1R,2R)-1-amino-N-[1-(fluoromethyl)cyclopropyl]sulfonyl-2-methylcyclopropane-1-carboxamide has a molecular weight of 250.29 g/mol, XLogP of -0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-1-amino-N-[1-(fluoromethyl)cyclopropyl]sulfonyl-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 90128179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).