N-(3-amino-3-hydroxyiminopropyl)-N,2-dimethyl-2-methylsulfonylpropanamide

C9H19N3O4S — CID 77015280

IUPACN-(3-amino-3-hydroxyiminopropyl)-N,2-dimethyl-2-methylsulfonylpropanamide
SMILESCN(CCC(N)=NO)C(=O)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C9H19N3O4S/c1-9(2,17(4,15)16)8(13)12(3)6-5-7(10)11-14/h14H,5-6H2,1-4H3,(H2,10,11)
InChIKeyUJQYIZLTMXSSRG-UHFFFAOYSA-N
MW265.33 g/mol
LogP-0.60
Rot. Bonds5

About N-(3-amino-3-hydroxyiminopropyl)-N,2-dimethyl-2-methylsulfonylpropanamide

N-(3-amino-3-hydroxyiminopropyl)-N,2-dimethyl-2-methylsulfonylpropanamide (PubChem CID 77015280) has the molecular formula C9H19N3O4S and a molecular weight of 265.33 g/mol. Its IUPAC name is N-(3-amino-3-hydroxyiminopropyl)-N,2-dimethyl-2-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-(3-amino-3-hydroxyiminopropyl)-N,2-dimethyl-2-methylsulfonylpropanamide
PubChem CID77015280
Molecular FormulaC9H19N3O4S
Molecular Weight265.33 g/mol
Exact Mass265.11
IUPAC NameN-(3-amino-3-hydroxyiminopropyl)-N,2-dimethyl-2-methylsulfonylpropanamide
SMILESCN(CCC(N)=NO)C(=O)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C9H19N3O4S/c1-9(2,17(4,15)16)8(13)12(3)6-5-7(10)11-14/h14H,5-6H2,1-4H3,(H2,10,11)
InChIKeyUJQYIZLTMXSSRG-UHFFFAOYSA-N
XLogP-0.60
TPSA113.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
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'}

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Related Compounds

N-(3-amino-3-hydroxyiminopropyl)-N-(2-methoxyethyl)-2-methyl-2-methylsulfonylpropanamide
CID 77015080
(3-amino-3-hydroxyiminopropyl)-tert-butylcarbamic acid
CID 87562227
1-(3-amino-3-hydroxyiminopropyl)-1-methyl-3-(2,2,2-trifluoroethyl)urea
CID 104858927
N-(2-amino-2-hydroxyiminoethyl)-N,2,2-trimethylpropanamide
CID 76928995
N-(3-amino-3-hydroxyiminopropyl)-N-methylnonanamide
CID 77069088
N-(2-bromopropyl)-N,2-dimethyl-2-methylsulfonylpropanamide
CID 80666116
3-[(4-tert-butylphenyl)methyl-methylamino]-N'-hydroxypropanimidamide
CID 43186214
N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-2-methylsulfonylacetamide
CID 77015086
N'-hydroxy-3-[methyl(2-methylbutan-2-yl)amino]propanimidamide
CID 77014154
1-(3-amino-3-hydroxyiminopropyl)-1,3-diethyl-3-methylurea
CID 79162393
3-[dimethylsulfamoyl(ethyl)amino]-N'-hydroxypropanimidamide
CID 76910450
N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-2-methylsulfonylpropanamide
CID 104521764

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-hydroxyiminopropyl)-N,2-dimethyl-2-methylsulfonylpropanamide?
The IUPAC name of N-(3-amino-3-hydroxyiminopropyl)-N,2-dimethyl-2-methylsulfonylpropanamide (CID 77015280) is N-(3-amino-3-hydroxyiminopropyl)-N,2-dimethyl-2-methylsulfonylpropanamide.
What is the SMILES notation for N-(3-amino-3-hydroxyiminopropyl)-N,2-dimethyl-2-methylsulfonylpropanamide?
The canonical SMILES for N-(3-amino-3-hydroxyiminopropyl)-N,2-dimethyl-2-methylsulfonylpropanamide is CN(CCC(N)=NO)C(=O)C(C)(C)S(C)(=O)=O.
What is the InChIKey of N-(3-amino-3-hydroxyiminopropyl)-N,2-dimethyl-2-methylsulfonylpropanamide?
The InChIKey is UJQYIZLTMXSSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O4S/c1-9(2,17(4,15)16)8(13)12(3)6-5-7(10)11-14/h14H,5-6H2,1-4H3,(H2,10,11).
What are the key properties of N-(3-amino-3-hydroxyiminopropyl)-N,2-dimethyl-2-methylsulfonylpropanamide?
N-(3-amino-3-hydroxyiminopropyl)-N,2-dimethyl-2-methylsulfonylpropanamide has a molecular weight of 265.33 g/mol, XLogP of -0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-hydroxyiminopropyl)-N,2-dimethyl-2-methylsulfonylpropanamide is sourced from PubChem (CID 77015280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).