trans-(1R,2R)-1-amino-2-(difluoromethyl)-N-(1-hept-6-enylcyclopropyl)sulfonylcyclopropane-1-carboxamide

C15H24F2N2O3S — CID 59366237

IUPACtrans-(1R,2R)-1-amino-2-(difluoromethyl)-N-(1-hept-6-enylcyclopropyl)sulfonylcyclopropane-1-carboxamide
SMILESC=CCCCCCC1(S(=O)(=O)NC(=O)[C@@]2(N)C[C@H]2C(F)F)CC1
InChIInChI=1S/C15H24F2N2O3S/c1-2-3-4-5-6-7-14(8-9-14)23(21,22)19-13(20)15(18)10-11(15)12(16)17/h2,11-12H,1,3-10,18H2,(H,19,20)/t11-,15+/m0/s1
InChIKeyWPFJXGJCPAYNDE-XHDPSFHLSA-N
MW350.43 g/mol
LogP2.08
Rot. Bonds10

About trans-(1R,2R)-1-amino-2-(difluoromethyl)-N-(1-hept-6-enylcyclopropyl)sulfonylcyclopropane-1-carboxamide

trans-(1R,2R)-1-amino-2-(difluoromethyl)-N-(1-hept-6-enylcyclopropyl)sulfonylcyclopropane-1-carboxamide (PubChem CID 59366237) has the molecular formula C15H24F2N2O3S and a molecular weight of 350.43 g/mol. Its IUPAC name is trans-(1R,2R)-1-amino-2-(difluoromethyl)-N-(1-hept-6-enylcyclopropyl)sulfonylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-1-amino-2-(difluoromethyl)-N-(1-hept-6-enylcyclopropyl)sulfonylcyclopropane-1-carboxamide
PubChem CID59366237
Molecular FormulaC15H24F2N2O3S
Molecular Weight350.43 g/mol
Exact Mass350.15
IUPAC Nametrans-(1R,2R)-1-amino-2-(difluoromethyl)-N-(1-hept-6-enylcyclopropyl)sulfonylcyclopropane-1-carboxamide
SMILESC=CCCCCCC1(S(=O)(=O)NC(=O)[C@@]2(N)C[C@H]2C(F)F)CC1
InChIInChI=1S/C15H24F2N2O3S/c1-2-3-4-5-6-7-14(8-9-14)23(21,22)19-13(20)15(18)10-11(15)12(16)17/h2,11-12H,1,3-10,18H2,(H,19,20)/t11-,15+/m0/s1
InChIKeyWPFJXGJCPAYNDE-XHDPSFHLSA-N
XLogP2.08
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze trans-(1R,2R)-1-amino-2-(difluoromethyl)-N-(1-hept-6-enylcyclopropyl)sulfonylcyclopropane-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 trans-(1R,2R)-1-amino-2-(difluoromethyl)-N-(1-hept-6-enylcyclopropyl)sulfonylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-1-amino-2-(difluoromethyl)-N-(1-hept-6-enylcyclopropyl)sulfonylcyclopropane-1-carboxamide (CID 59366237) is trans-(1R,2R)-1-amino-2-(difluoromethyl)-N-(1-hept-6-enylcyclopropyl)sulfonylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-1-amino-2-(difluoromethyl)-N-(1-hept-6-enylcyclopropyl)sulfonylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-1-amino-2-(difluoromethyl)-N-(1-hept-6-enylcyclopropyl)sulfonylcyclopropane-1-carboxamide is C=CCCCCCC1(S(=O)(=O)NC(=O)[C@@]2(N)C[C@H]2C(F)F)CC1.
What is the InChIKey of trans-(1R,2R)-1-amino-2-(difluoromethyl)-N-(1-hept-6-enylcyclopropyl)sulfonylcyclopropane-1-carboxamide?
The InChIKey is WPFJXGJCPAYNDE-XHDPSFHLSA-N. The full InChI is InChI=1S/C15H24F2N2O3S/c1-2-3-4-5-6-7-14(8-9-14)23(21,22)19-13(20)15(18)10-11(15)12(16)17/h2,11-12H,1,3-10,18H2,(H,19,20)/t11-,15+/m0/s1.
What are the key properties of trans-(1R,2R)-1-amino-2-(difluoromethyl)-N-(1-hept-6-enylcyclopropyl)sulfonylcyclopropane-1-carboxamide?
trans-(1R,2R)-1-amino-2-(difluoromethyl)-N-(1-hept-6-enylcyclopropyl)sulfonylcyclopropane-1-carboxamide has a molecular weight of 350.43 g/mol, XLogP of 2.08, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-1-amino-2-(difluoromethyl)-N-(1-hept-6-enylcyclopropyl)sulfonylcyclopropane-1-carboxamide is sourced from PubChem (CID 59366237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).