3-[cyclopropyl(4,4,4-trifluorobutylsulfonyl)amino]-N'-hydroxypropanimidamide

C10H18F3N3O3S — CID 83059113

IUPAC3-[cyclopropyl(4,4,4-trifluorobutylsulfonyl)amino]-N'-hydroxypropanimidamide
SMILESNC(CCN(C1CC1)S(=O)(=O)CCCC(F)(F)F)=NO
InChIInChI=1S/C10H18F3N3O3S/c11-10(12,13)5-1-7-20(18,19)16(8-2-3-8)6-4-9(14)15-17/h8,17H,1-7H2,(H2,14,15)
InChIKeyYTDAEIXJGOSIMB-UHFFFAOYSA-N
MW317.33 g/mol
LogP1.26
Rot. Bonds8

About 3-[cyclopropyl(4,4,4-trifluorobutylsulfonyl)amino]-N'-hydroxypropanimidamide

3-[cyclopropyl(4,4,4-trifluorobutylsulfonyl)amino]-N'-hydroxypropanimidamide (PubChem CID 83059113) has the molecular formula C10H18F3N3O3S and a molecular weight of 317.33 g/mol. Its IUPAC name is 3-[cyclopropyl(4,4,4-trifluorobutylsulfonyl)amino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[cyclopropyl(4,4,4-trifluorobutylsulfonyl)amino]-N'-hydroxypropanimidamide
PubChem CID83059113
Molecular FormulaC10H18F3N3O3S
Molecular Weight317.33 g/mol
Exact Mass317.10
IUPAC Name3-[cyclopropyl(4,4,4-trifluorobutylsulfonyl)amino]-N'-hydroxypropanimidamide
SMILESNC(CCN(C1CC1)S(=O)(=O)CCCC(F)(F)F)=NO
InChIInChI=1S/C10H18F3N3O3S/c11-10(12,13)5-1-7-20(18,19)16(8-2-3-8)6-4-9(14)15-17/h8,17H,1-7H2,(H2,14,15)
InChIKeyYTDAEIXJGOSIMB-UHFFFAOYSA-N
XLogP1.26
TPSA95.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.33
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(4,4,4-trifluorobutylsulfonyl)amino]-N'-hydroxypropanimidamide?
The IUPAC name of 3-[cyclopropyl(4,4,4-trifluorobutylsulfonyl)amino]-N'-hydroxypropanimidamide (CID 83059113) is 3-[cyclopropyl(4,4,4-trifluorobutylsulfonyl)amino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-[cyclopropyl(4,4,4-trifluorobutylsulfonyl)amino]-N'-hydroxypropanimidamide?
The canonical SMILES for 3-[cyclopropyl(4,4,4-trifluorobutylsulfonyl)amino]-N'-hydroxypropanimidamide is NC(CCN(C1CC1)S(=O)(=O)CCCC(F)(F)F)=NO.
What is the InChIKey of 3-[cyclopropyl(4,4,4-trifluorobutylsulfonyl)amino]-N'-hydroxypropanimidamide?
The InChIKey is YTDAEIXJGOSIMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3O3S/c11-10(12,13)5-1-7-20(18,19)16(8-2-3-8)6-4-9(14)15-17/h8,17H,1-7H2,(H2,14,15).
What are the key properties of 3-[cyclopropyl(4,4,4-trifluorobutylsulfonyl)amino]-N'-hydroxypropanimidamide?
3-[cyclopropyl(4,4,4-trifluorobutylsulfonyl)amino]-N'-hydroxypropanimidamide has a molecular weight of 317.33 g/mol, XLogP of 1.26, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(4,4,4-trifluorobutylsulfonyl)amino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 83059113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).