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

C10H18F3N3O2S — CID 83059128

IUPAC1-(4,4,4-trifluorobutylsulfonylamino)cyclopentane-1-carboximidamide
SMILES[H]/N=C(\N)C1(NS(=O)(=O)CCCC(F)(F)F)CCCC1
InChIInChI=1S/C10H18F3N3O2S/c11-10(12,13)6-3-7-19(17,18)16-9(8(14)15)4-1-2-5-9/h16H,1-7H2,(H3,14,15)
InChIKeyHHTHDRXDYRELFG-UHFFFAOYSA-N
MW301.33 g/mol
LogP1.50
Rot. Bonds6

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

1-(4,4,4-trifluorobutylsulfonylamino)cyclopentane-1-carboximidamide (PubChem CID 83059128) has the molecular formula C10H18F3N3O2S and a molecular weight of 301.33 g/mol. Its IUPAC name is 1-(4,4,4-trifluorobutylsulfonylamino)cyclopentane-1-carboximidamide.

Molecular Properties

Compound Name1-(4,4,4-trifluorobutylsulfonylamino)cyclopentane-1-carboximidamide
PubChem CID83059128
Molecular FormulaC10H18F3N3O2S
Molecular Weight301.33 g/mol
Exact Mass301.11
IUPAC Name1-(4,4,4-trifluorobutylsulfonylamino)cyclopentane-1-carboximidamide
SMILES[H]/N=C(\N)C1(NS(=O)(=O)CCCC(F)(F)F)CCCC1
InChIInChI=1S/C10H18F3N3O2S/c11-10(12,13)6-3-7-19(17,18)16-9(8(14)15)4-1-2-5-9/h16H,1-7H2,(H3,14,15)
InChIKeyHHTHDRXDYRELFG-UHFFFAOYSA-N
XLogP1.50
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 ≤ 51.50
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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Related Compounds

1-(Difluoromethylsulfonylamino)cyclopentane-1-carboximidamide
CID 64406455
1-(4,4,4-Trifluorobutylsulfonylamino)cycloheptane-1-carboximidamide
CID 83046773
N'-hydroxy-1-(4,4,4-trifluorobutylsulfonylamino)cyclohexane-1-carboximidamide
CID 83047154
4-Methyl-1-(4,4,4-trifluorobutylsulfonylamino)cyclohexane-1-carboximidamide
CID 83048046
N'-hydroxy-1-(4,4,4-trifluorobutylsulfonylamino)cyclopentane-1-carboximidamide
CID 83058245
2-Ethyl-2-(4,4,4-trifluorobutylsulfonylamino)butanimidamide
CID 83058259
2-Methyl-2-(4,4,4-trifluorobutylsulfonylamino)butanimidamide
CID 83058821
1-(4,4,4-Trifluorobutylsulfonylamino)cyclohexane-1-carboximidamide
CID 83059743
1-(3-Methylbutylsulfonylamino)cyclopentane-1-carboximidamide
CID 64405622
1-(Ethylsulfonylamino)cyclopentane-1-carboximidamide
CID 64405830
1-(Cyclohexylsulfonylamino)cyclopentane-1-carboximidamide
CID 64406040
1-(Propan-2-ylsulfonylamino)cyclopentane-1-carboximidamide
CID 64406663

Frequently Asked Questions

What is the IUPAC name of 1-(4,4,4-trifluorobutylsulfonylamino)cyclopentane-1-carboximidamide?
The IUPAC name of 1-(4,4,4-trifluorobutylsulfonylamino)cyclopentane-1-carboximidamide (CID 83059128) is 1-(4,4,4-trifluorobutylsulfonylamino)cyclopentane-1-carboximidamide.
What is the SMILES notation for 1-(4,4,4-trifluorobutylsulfonylamino)cyclopentane-1-carboximidamide?
The canonical SMILES for 1-(4,4,4-trifluorobutylsulfonylamino)cyclopentane-1-carboximidamide is [H]/N=C(\N)C1(NS(=O)(=O)CCCC(F)(F)F)CCCC1.
What is the InChIKey of 1-(4,4,4-trifluorobutylsulfonylamino)cyclopentane-1-carboximidamide?
The InChIKey is HHTHDRXDYRELFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3O2S/c11-10(12,13)6-3-7-19(17,18)16-9(8(14)15)4-1-2-5-9/h16H,1-7H2,(H3,14,15).
What are the key properties of 1-(4,4,4-trifluorobutylsulfonylamino)cyclopentane-1-carboximidamide?
1-(4,4,4-trifluorobutylsulfonylamino)cyclopentane-1-carboximidamide has a molecular weight of 301.33 g/mol, XLogP of 1.50, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4,4-trifluorobutylsulfonylamino)cyclopentane-1-carboximidamide is sourced from PubChem (CID 83059128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).