1-(2,2,2-trifluoroethylsulfamoylamino)cyclooctane-1-carboximidamide

C11H21F3N4O2S — CID 114813300

IUPAC1-(2,2,2-trifluoroethylsulfamoylamino)cyclooctane-1-carboximidamide
SMILES[H]/N=C(\N)C1(NS(=O)(=O)NCC(F)(F)F)CCCCCCC1
InChIInChI=1S/C11H21F3N4O2S/c12-11(13,14)8-17-21(19,20)18-10(9(15)16)6-4-2-1-3-5-7-10/h17-18H,1-8H2,(H3,15,16)
InChIKeyLOVZSYOSPWAZFB-UHFFFAOYSA-N
MW330.38 g/mol
LogP1.39
Rot. Bonds5

About 1-(2,2,2-trifluoroethylsulfamoylamino)cyclooctane-1-carboximidamide

1-(2,2,2-trifluoroethylsulfamoylamino)cyclooctane-1-carboximidamide (PubChem CID 114813300) has the molecular formula C11H21F3N4O2S and a molecular weight of 330.38 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethylsulfamoylamino)cyclooctane-1-carboximidamide.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethylsulfamoylamino)cyclooctane-1-carboximidamide
PubChem CID114813300
Molecular FormulaC11H21F3N4O2S
Molecular Weight330.38 g/mol
Exact Mass330.13
IUPAC Name1-(2,2,2-trifluoroethylsulfamoylamino)cyclooctane-1-carboximidamide
SMILES[H]/N=C(\N)C1(NS(=O)(=O)NCC(F)(F)F)CCCCCCC1
InChIInChI=1S/C11H21F3N4O2S/c12-11(13,14)8-17-21(19,20)18-10(9(15)16)6-4-2-1-3-5-7-10/h17-18H,1-8H2,(H3,15,16)
InChIKeyLOVZSYOSPWAZFB-UHFFFAOYSA-N
XLogP1.39
TPSA108.07 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 51.39
H-Bond Donors ≤ 54
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)cyclooctane-1-carboximidamide
CID 64406112
N'-hydroxy-1-(2,2,2-trifluoroethylsulfamoylamino)cycloheptane-1-carboximidamide
CID 104978339
1-(2,2,2-Trifluoroethylsulfamoylamino)cyclopentane-1-carboximidamide
CID 113637733
1-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)cyclooctan-1-amine
CID 114803352
4-Ethyl-1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carboximidamide
CID 114813306
1-(2,2,2-Trifluoroethylsulfamoylamino)cycloheptane-1-carboximidamide
CID 114813330
1-(2,2,2-Trifluoroethylsulfamoylamino)cyclohexane-1-carboximidamide
CID 114813500
1-(Ethylsulfamoylamino)cyclooctane-1-carboximidamide
CID 113637751
1-(Propan-2-ylsulfamoylamino)cyclooctane-1-carboximidamide
CID 114813297
1-(Cyclopropylsulfamoylamino)cyclooctane-1-carboximidamide
CID 114813298
1-(Methylsulfamoylamino)cyclooctane-1-carboximidamide
CID 114813299
1-(Tert-butylsulfamoylamino)cyclooctane-1-carboximidamide
CID 114813301

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethylsulfamoylamino)cyclooctane-1-carboximidamide?
The IUPAC name of 1-(2,2,2-trifluoroethylsulfamoylamino)cyclooctane-1-carboximidamide (CID 114813300) is 1-(2,2,2-trifluoroethylsulfamoylamino)cyclooctane-1-carboximidamide.
What is the SMILES notation for 1-(2,2,2-trifluoroethylsulfamoylamino)cyclooctane-1-carboximidamide?
The canonical SMILES for 1-(2,2,2-trifluoroethylsulfamoylamino)cyclooctane-1-carboximidamide is [H]/N=C(\N)C1(NS(=O)(=O)NCC(F)(F)F)CCCCCCC1.
What is the InChIKey of 1-(2,2,2-trifluoroethylsulfamoylamino)cyclooctane-1-carboximidamide?
The InChIKey is LOVZSYOSPWAZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N4O2S/c12-11(13,14)8-17-21(19,20)18-10(9(15)16)6-4-2-1-3-5-7-10/h17-18H,1-8H2,(H3,15,16).
What are the key properties of 1-(2,2,2-trifluoroethylsulfamoylamino)cyclooctane-1-carboximidamide?
1-(2,2,2-trifluoroethylsulfamoylamino)cyclooctane-1-carboximidamide has a molecular weight of 330.38 g/mol, XLogP of 1.39, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethylsulfamoylamino)cyclooctane-1-carboximidamide is sourced from PubChem (CID 114813300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).