2-[cyclopentyl(2,2,2-trifluoroethylsulfamoyl)amino]ethanimidamide

C9H17F3N4O2S — CID 114813550

IUPAC2-[cyclopentyl(2,2,2-trifluoroethylsulfamoyl)amino]ethanimidamide
SMILES[H]/N=C(\N)CN(C1CCCC1)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C9H17F3N4O2S/c10-9(11,12)6-15-19(17,18)16(5-8(13)14)7-3-1-2-4-7/h7,15H,1-6H2,(H3,13,14)
InChIKeyCRBVPBVCVAIWAO-UHFFFAOYSA-N
MW302.32 g/mol
LogP0.56
Rot. Bonds6

About 2-[cyclopentyl(2,2,2-trifluoroethylsulfamoyl)amino]ethanimidamide

2-[cyclopentyl(2,2,2-trifluoroethylsulfamoyl)amino]ethanimidamide (PubChem CID 114813550) has the molecular formula C9H17F3N4O2S and a molecular weight of 302.32 g/mol. Its IUPAC name is 2-[cyclopentyl(2,2,2-trifluoroethylsulfamoyl)amino]ethanimidamide.

Molecular Properties

Compound Name2-[cyclopentyl(2,2,2-trifluoroethylsulfamoyl)amino]ethanimidamide
PubChem CID114813550
Molecular FormulaC9H17F3N4O2S
Molecular Weight302.32 g/mol
Exact Mass302.10
IUPAC Name2-[cyclopentyl(2,2,2-trifluoroethylsulfamoyl)amino]ethanimidamide
SMILES[H]/N=C(\N)CN(C1CCCC1)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C9H17F3N4O2S/c10-9(11,12)6-15-19(17,18)16(5-8(13)14)7-3-1-2-4-7/h7,15H,1-6H2,(H3,13,14)
InChIKeyCRBVPBVCVAIWAO-UHFFFAOYSA-N
XLogP0.56
TPSA99.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.32
LogP ≤ 50.56
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-[cyclopentyl(2,2,2-trifluoroethylsulfamoyl)amino]ethanimidamide?
The IUPAC name of 2-[cyclopentyl(2,2,2-trifluoroethylsulfamoyl)amino]ethanimidamide (CID 114813550) is 2-[cyclopentyl(2,2,2-trifluoroethylsulfamoyl)amino]ethanimidamide.
What is the SMILES notation for 2-[cyclopentyl(2,2,2-trifluoroethylsulfamoyl)amino]ethanimidamide?
The canonical SMILES for 2-[cyclopentyl(2,2,2-trifluoroethylsulfamoyl)amino]ethanimidamide is [H]/N=C(\N)CN(C1CCCC1)S(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 2-[cyclopentyl(2,2,2-trifluoroethylsulfamoyl)amino]ethanimidamide?
The InChIKey is CRBVPBVCVAIWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N4O2S/c10-9(11,12)6-15-19(17,18)16(5-8(13)14)7-3-1-2-4-7/h7,15H,1-6H2,(H3,13,14).
What are the key properties of 2-[cyclopentyl(2,2,2-trifluoroethylsulfamoyl)amino]ethanimidamide?
2-[cyclopentyl(2,2,2-trifluoroethylsulfamoyl)amino]ethanimidamide has a molecular weight of 302.32 g/mol, XLogP of 0.56, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl(2,2,2-trifluoroethylsulfamoyl)amino]ethanimidamide is sourced from PubChem (CID 114813550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).