2-(4,4,4-trifluorobutylsulfonylamino)cyclopentane-1-carboximidamide

C10H18F3N3O2S — CID 83058950

IUPAC2-(4,4,4-trifluorobutylsulfonylamino)cyclopentane-1-carboximidamide
SMILES[H]/N=C(\N)C1CCCC1NS(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C10H18F3N3O2S/c11-10(12,13)5-2-6-19(17,18)16-8-4-1-3-7(8)9(14)15/h7-8,16H,1-6H2,(H3,14,15)
InChIKeyOLRNNMMAXGXTOL-UHFFFAOYSA-N
MW301.33 g/mol
LogP1.35
Rot. Bonds6

About 2-(4,4,4-trifluorobutylsulfonylamino)cyclopentane-1-carboximidamide

2-(4,4,4-trifluorobutylsulfonylamino)cyclopentane-1-carboximidamide (PubChem CID 83058950) has the molecular formula C10H18F3N3O2S and a molecular weight of 301.33 g/mol. Its IUPAC name is 2-(4,4,4-trifluorobutylsulfonylamino)cyclopentane-1-carboximidamide.

Molecular Properties

Compound Name2-(4,4,4-trifluorobutylsulfonylamino)cyclopentane-1-carboximidamide
PubChem CID83058950
Molecular FormulaC10H18F3N3O2S
Molecular Weight301.33 g/mol
Exact Mass301.11
IUPAC Name2-(4,4,4-trifluorobutylsulfonylamino)cyclopentane-1-carboximidamide
SMILES[H]/N=C(\N)C1CCCC1NS(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C10H18F3N3O2S/c11-10(12,13)5-2-6-19(17,18)16-8-4-1-3-7(8)9(14)15/h7-8,16H,1-6H2,(H3,14,15)
InChIKeyOLRNNMMAXGXTOL-UHFFFAOYSA-N
XLogP1.35
TPSA96.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4,4-trifluorobutylsulfonylamino)cyclopentane-1-carboximidamide?
The IUPAC name of 2-(4,4,4-trifluorobutylsulfonylamino)cyclopentane-1-carboximidamide (CID 83058950) is 2-(4,4,4-trifluorobutylsulfonylamino)cyclopentane-1-carboximidamide.
What is the SMILES notation for 2-(4,4,4-trifluorobutylsulfonylamino)cyclopentane-1-carboximidamide?
The canonical SMILES for 2-(4,4,4-trifluorobutylsulfonylamino)cyclopentane-1-carboximidamide is [H]/N=C(\N)C1CCCC1NS(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of 2-(4,4,4-trifluorobutylsulfonylamino)cyclopentane-1-carboximidamide?
The InChIKey is OLRNNMMAXGXTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3O2S/c11-10(12,13)5-2-6-19(17,18)16-8-4-1-3-7(8)9(14)15/h7-8,16H,1-6H2,(H3,14,15).
What are the key properties of 2-(4,4,4-trifluorobutylsulfonylamino)cyclopentane-1-carboximidamide?
2-(4,4,4-trifluorobutylsulfonylamino)cyclopentane-1-carboximidamide has a molecular weight of 301.33 g/mol, XLogP of 1.35, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4,4-trifluorobutylsulfonylamino)cyclopentane-1-carboximidamide is sourced from PubChem (CID 83058950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).