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

C9H17F3N4O2S — CID 114813500

IUPAC1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carboximidamide
SMILES[H]/N=C(\N)C1(NS(=O)(=O)NCC(F)(F)F)CCCCC1
InChIInChI=1S/C9H17F3N4O2S/c10-9(11,12)6-15-19(17,18)16-8(7(13)14)4-2-1-3-5-8/h15-16H,1-6H2,(H3,13,14)
InChIKeyQQDVHHBRCNECRH-UHFFFAOYSA-N
MW302.32 g/mol
LogP0.61
Rot. Bonds5

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

1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carboximidamide (PubChem CID 114813500) has the molecular formula C9H17F3N4O2S and a molecular weight of 302.32 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carboximidamide.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carboximidamide
PubChem CID114813500
Molecular FormulaC9H17F3N4O2S
Molecular Weight302.32 g/mol
Exact Mass302.10
IUPAC Name1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carboximidamide
SMILES[H]/N=C(\N)C1(NS(=O)(=O)NCC(F)(F)F)CCCCC1
InChIInChI=1S/C9H17F3N4O2S/c10-9(11,12)6-15-19(17,18)16-8(7(13)14)4-2-1-3-5-8/h15-16H,1-6H2,(H3,13,14)
InChIKeyQQDVHHBRCNECRH-UHFFFAOYSA-N
XLogP0.61
TPSA108.07 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.32
LogP ≤ 50.61
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

N'-hydroxy-1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carboximidamide
CID 104978321
N'-hydroxy-4-methyl-1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carboximidamide
CID 104978326
1-(2,2,2-Trifluoroethylsulfamoylamino)cyclopentane-1-carboximidamide
CID 113637733
1-(2,2,2-Trifluoroethylsulfamoylamino)cyclooctane-1-carboximidamide
CID 114813300
4-Ethyl-1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carboximidamide
CID 114813306
2-Ethyl-2-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide
CID 114813313
2-Cyclohexyl-2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide
CID 114813319
4-Methyl-1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carboximidamide
CID 114813324
1-(2,2,2-Trifluoroethylsulfamoylamino)cycloheptane-1-carboximidamide
CID 114813330
4-Methyl-1-(propylsulfamoylamino)cyclohexane-1-carboximidamide
CID 113637755
1-(2-Methylpropylsulfamoylamino)cyclohexane-1-carboximidamide
CID 113638287
1-(Ethylsulfamoylamino)-4-methylcyclohexane-1-carboximidamide
CID 114813326

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carboximidamide?
The IUPAC name of 1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carboximidamide (CID 114813500) is 1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carboximidamide.
What is the SMILES notation for 1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carboximidamide?
The canonical SMILES for 1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carboximidamide is [H]/N=C(\N)C1(NS(=O)(=O)NCC(F)(F)F)CCCCC1.
What is the InChIKey of 1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carboximidamide?
The InChIKey is QQDVHHBRCNECRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N4O2S/c10-9(11,12)6-15-19(17,18)16-8(7(13)14)4-2-1-3-5-8/h15-16H,1-6H2,(H3,13,14).
What are the key properties of 1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carboximidamide?
1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carboximidamide has a molecular weight of 302.32 g/mol, XLogP of 0.61, 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)cyclohexane-1-carboximidamide is sourced from PubChem (CID 114813500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).