3,3,3-trifluoro-N'-hydroxy-2-[[[2-(methanesulfonamido)-2-methylpropyl]amino]methyl]propanimidamide

C9H19F3N4O3S — CID 103369732

IUPAC3,3,3-trifluoro-N'-hydroxy-2-[[[2-(methanesulfonamido)-2-methylpropyl]amino]methyl]propanimidamide
SMILESCC(C)(CNCC(C(N)=NO)C(F)(F)F)NS(C)(=O)=O
InChIInChI=1S/C9H19F3N4O3S/c1-8(2,16-20(3,18)19)5-14-4-6(7(13)15-17)9(10,11)12/h6,14,16-17H,4-5H2,1-3H3,(H2,13,15)
InChIKeyYNQDCWKJKZBFAF-UHFFFAOYSA-N
MW320.34 g/mol
LogP-0.17
Rot. Bonds7

About 3,3,3-trifluoro-N'-hydroxy-2-[[[2-(methanesulfonamido)-2-methylpropyl]amino]methyl]propanimidamide

3,3,3-trifluoro-N'-hydroxy-2-[[[2-(methanesulfonamido)-2-methylpropyl]amino]methyl]propanimidamide (PubChem CID 103369732) has the molecular formula C9H19F3N4O3S and a molecular weight of 320.34 g/mol. Its IUPAC name is 3,3,3-trifluoro-N'-hydroxy-2-[[[2-(methanesulfonamido)-2-methylpropyl]amino]methyl]propanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N'-hydroxy-2-[[[2-(methanesulfonamido)-2-methylpropyl]amino]methyl]propanimidamide
PubChem CID103369732
Molecular FormulaC9H19F3N4O3S
Molecular Weight320.34 g/mol
Exact Mass320.11
IUPAC Name3,3,3-trifluoro-N'-hydroxy-2-[[[2-(methanesulfonamido)-2-methylpropyl]amino]methyl]propanimidamide
SMILESCC(C)(CNCC(C(N)=NO)C(F)(F)F)NS(C)(=O)=O
InChIInChI=1S/C9H19F3N4O3S/c1-8(2,16-20(3,18)19)5-14-4-6(7(13)15-17)9(10,11)12/h6,14,16-17H,4-5H2,1-3H3,(H2,13,15)
InChIKeyYNQDCWKJKZBFAF-UHFFFAOYSA-N
XLogP-0.17
TPSA116.81 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 5-0.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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'}

Analyze 3,3,3-trifluoro-N'-hydroxy-2-[[[2-(methanesulfonamido)-2-methylpropyl]amino]methyl]propanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[difluoromethylsulfonyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide
CID 76917180
3,3,3-trifluoro-N'-hydroxy-2-[(4-methylsulfonylpiperazin-1-yl)methyl]propanimidamide
CID 103369412
2-[[3-[ethyl(methylsulfonyl)amino]propylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369743
3,3,3-trifluoro-N'-hydroxy-2-[[3-(methanesulfonamido)propylamino]methyl]propanimidamide
CID 106339635
3,3,3-trifluoro-N'-hydroxy-2-[[2-(methanesulfonamido)ethylamino]methyl]propanimidamide
CID 113807982
2-[3-[ethyl(methylsulfonyl)amino]propylamino]-N'-hydroxybutanimidamide
CID 64330110
N'-hydroxy-3-[[2-(methanesulfonamido)-2-methylpropyl]amino]-2-methylpropanimidamide
CID 64331777
N'-hydroxy-3-[[2-(methanesulfonamido)-2-methylpropyl]amino]butanimidamide
CID 64331778
N'-hydroxy-2-[[2-(methanesulfonamido)-2-methylpropyl]amino]butanimidamide
CID 64331780
3-[3-[ethyl(methylsulfonyl)amino]propylamino]-N'-hydroxy-2-methylpropanimidamide
CID 64332410
2-[3-[ethyl(methylsulfonyl)amino]propylamino]-N'-hydroxybutanimidamide
CID 77028097
N'-hydroxy-3-[2-(methanesulfonamido)ethylamino]-2-methylpropanimidamide
CID 77028400

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[[[2-(methanesulfonamido)-2-methylpropyl]amino]methyl]propanimidamide?
The IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[[[2-(methanesulfonamido)-2-methylpropyl]amino]methyl]propanimidamide (CID 103369732) is 3,3,3-trifluoro-N'-hydroxy-2-[[[2-(methanesulfonamido)-2-methylpropyl]amino]methyl]propanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-N'-hydroxy-2-[[[2-(methanesulfonamido)-2-methylpropyl]amino]methyl]propanimidamide?
The canonical SMILES for 3,3,3-trifluoro-N'-hydroxy-2-[[[2-(methanesulfonamido)-2-methylpropyl]amino]methyl]propanimidamide is CC(C)(CNCC(C(N)=NO)C(F)(F)F)NS(C)(=O)=O.
What is the InChIKey of 3,3,3-trifluoro-N'-hydroxy-2-[[[2-(methanesulfonamido)-2-methylpropyl]amino]methyl]propanimidamide?
The InChIKey is YNQDCWKJKZBFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F3N4O3S/c1-8(2,16-20(3,18)19)5-14-4-6(7(13)15-17)9(10,11)12/h6,14,16-17H,4-5H2,1-3H3,(H2,13,15).
What are the key properties of 3,3,3-trifluoro-N'-hydroxy-2-[[[2-(methanesulfonamido)-2-methylpropyl]amino]methyl]propanimidamide?
3,3,3-trifluoro-N'-hydroxy-2-[[[2-(methanesulfonamido)-2-methylpropyl]amino]methyl]propanimidamide has a molecular weight of 320.34 g/mol, XLogP of -0.17, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N'-hydroxy-2-[[[2-(methanesulfonamido)-2-methylpropyl]amino]methyl]propanimidamide is sourced from PubChem (CID 103369732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).