2-methyl-2-(4,4,4-trifluorobutylsulfonylamino)propanimidamide

C8H16F3N3O2S — CID 83059438

IUPAC2-methyl-2-(4,4,4-trifluorobutylsulfonylamino)propanimidamide
SMILES[H]/N=C(\N)C(C)(C)NS(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C8H16F3N3O2S/c1-7(2,6(12)13)14-17(15,16)5-3-4-8(9,10)11/h14H,3-5H2,1-2H3,(H3,12,13)
InChIKeyYGEPLLUVVRNWFW-UHFFFAOYSA-N
MW275.30 g/mol
LogP0.96
Rot. Bonds6

About 2-methyl-2-(4,4,4-trifluorobutylsulfonylamino)propanimidamide

2-methyl-2-(4,4,4-trifluorobutylsulfonylamino)propanimidamide (PubChem CID 83059438) has the molecular formula C8H16F3N3O2S and a molecular weight of 275.30 g/mol. Its IUPAC name is 2-methyl-2-(4,4,4-trifluorobutylsulfonylamino)propanimidamide.

Molecular Properties

Compound Name2-methyl-2-(4,4,4-trifluorobutylsulfonylamino)propanimidamide
PubChem CID83059438
Molecular FormulaC8H16F3N3O2S
Molecular Weight275.30 g/mol
Exact Mass275.09
IUPAC Name2-methyl-2-(4,4,4-trifluorobutylsulfonylamino)propanimidamide
SMILES[H]/N=C(\N)C(C)(C)NS(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C8H16F3N3O2S/c1-7(2,6(12)13)14-17(15,16)5-3-4-8(9,10)11/h14H,3-5H2,1-2H3,(H3,12,13)
InChIKeyYGEPLLUVVRNWFW-UHFFFAOYSA-N
XLogP0.96
TPSA96.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 50.96
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-methyl-2-(4,4,4-trifluorobutylsulfonylamino)propanimidamide?
The IUPAC name of 2-methyl-2-(4,4,4-trifluorobutylsulfonylamino)propanimidamide (CID 83059438) is 2-methyl-2-(4,4,4-trifluorobutylsulfonylamino)propanimidamide.
What is the SMILES notation for 2-methyl-2-(4,4,4-trifluorobutylsulfonylamino)propanimidamide?
The canonical SMILES for 2-methyl-2-(4,4,4-trifluorobutylsulfonylamino)propanimidamide is [H]/N=C(\N)C(C)(C)NS(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of 2-methyl-2-(4,4,4-trifluorobutylsulfonylamino)propanimidamide?
The InChIKey is YGEPLLUVVRNWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3N3O2S/c1-7(2,6(12)13)14-17(15,16)5-3-4-8(9,10)11/h14H,3-5H2,1-2H3,(H3,12,13).
What are the key properties of 2-methyl-2-(4,4,4-trifluorobutylsulfonylamino)propanimidamide?
2-methyl-2-(4,4,4-trifluorobutylsulfonylamino)propanimidamide has a molecular weight of 275.30 g/mol, XLogP of 0.96, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(4,4,4-trifluorobutylsulfonylamino)propanimidamide is sourced from PubChem (CID 83059438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).