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

C10H19F3N4O2S — CID 114813330

IUPAC1-(2,2,2-trifluoroethylsulfamoylamino)cycloheptane-1-carboximidamide
SMILES[H]/N=C(\N)C1(NS(=O)(=O)NCC(F)(F)F)CCCCCC1
InChIInChI=1S/C10H19F3N4O2S/c11-10(12,13)7-16-20(18,19)17-9(8(14)15)5-3-1-2-4-6-9/h16-17H,1-7H2,(H3,14,15)
InChIKeyYCOVCKQSXBNRMP-UHFFFAOYSA-N
MW316.35 g/mol
LogP1.00
Rot. Bonds5

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

1-(2,2,2-trifluoroethylsulfamoylamino)cycloheptane-1-carboximidamide (PubChem CID 114813330) has the molecular formula C10H19F3N4O2S and a molecular weight of 316.35 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethylsulfamoylamino)cycloheptane-1-carboximidamide.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethylsulfamoylamino)cycloheptane-1-carboximidamide
PubChem CID114813330
Molecular FormulaC10H19F3N4O2S
Molecular Weight316.35 g/mol
Exact Mass316.12
IUPAC Name1-(2,2,2-trifluoroethylsulfamoylamino)cycloheptane-1-carboximidamide
SMILES[H]/N=C(\N)C1(NS(=O)(=O)NCC(F)(F)F)CCCCCC1
InChIInChI=1S/C10H19F3N4O2S/c11-10(12,13)7-16-20(18,19)17-9(8(14)15)5-3-1-2-4-6-9/h16-17H,1-7H2,(H3,14,15)
InChIKeyYCOVCKQSXBNRMP-UHFFFAOYSA-N
XLogP1.00
TPSA108.07 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 51.00
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)cycloheptane-1-carboximidamide
CID 64407379
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)cycloheptan-1-amine
CID 114803358
1-[(2,2,2-Trifluoroethylsulfamoylamino)methyl]cycloheptan-1-amine
CID 114810377
1-(2,2,2-Trifluoroethylsulfamoylamino)cyclooctane-1-carboximidamide
CID 114813300
4-Ethyl-1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carboximidamide
CID 114813306
1-(2,2,2-Trifluoroethylsulfamoylamino)cyclohexane-1-carboximidamide
CID 114813500
1-(Propan-2-ylsulfamoylamino)cycloheptane-1-carboximidamide
CID 114813327
1-(Cyclopropylsulfamoylamino)cycloheptane-1-carboximidamide
CID 114813328
1-(Methylsulfamoylamino)cycloheptane-1-carboximidamide
CID 114813329
1-(Tert-butylsulfamoylamino)cycloheptane-1-carboximidamide
CID 114813331

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethylsulfamoylamino)cycloheptane-1-carboximidamide?
The IUPAC name of 1-(2,2,2-trifluoroethylsulfamoylamino)cycloheptane-1-carboximidamide (CID 114813330) is 1-(2,2,2-trifluoroethylsulfamoylamino)cycloheptane-1-carboximidamide.
What is the SMILES notation for 1-(2,2,2-trifluoroethylsulfamoylamino)cycloheptane-1-carboximidamide?
The canonical SMILES for 1-(2,2,2-trifluoroethylsulfamoylamino)cycloheptane-1-carboximidamide is [H]/N=C(\N)C1(NS(=O)(=O)NCC(F)(F)F)CCCCCC1.
What is the InChIKey of 1-(2,2,2-trifluoroethylsulfamoylamino)cycloheptane-1-carboximidamide?
The InChIKey is YCOVCKQSXBNRMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N4O2S/c11-10(12,13)7-16-20(18,19)17-9(8(14)15)5-3-1-2-4-6-9/h16-17H,1-7H2,(H3,14,15).
What are the key properties of 1-(2,2,2-trifluoroethylsulfamoylamino)cycloheptane-1-carboximidamide?
1-(2,2,2-trifluoroethylsulfamoylamino)cycloheptane-1-carboximidamide has a molecular weight of 316.35 g/mol, XLogP of 1.00, 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)cycloheptane-1-carboximidamide is sourced from PubChem (CID 114813330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).