N-(3-amino-3-hydroxyiminopropyl)-N-(2-methoxyethyl)-2-methyl-2-methylsulfonylpropanamide

C11H23N3O5S — CID 77015080

IUPACN-(3-amino-3-hydroxyiminopropyl)-N-(2-methoxyethyl)-2-methyl-2-methylsulfonylpropanamide
SMILESCOCCN(CCC(N)=NO)C(=O)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C11H23N3O5S/c1-11(2,20(4,17)18)10(15)14(7-8-19-3)6-5-9(12)13-16/h16H,5-8H2,1-4H3,(H2,12,13)
InChIKeySDSVZABBHJBXEO-UHFFFAOYSA-N
MW309.39 g/mol
LogP-0.58
Rot. Bonds8

About N-(3-amino-3-hydroxyiminopropyl)-N-(2-methoxyethyl)-2-methyl-2-methylsulfonylpropanamide

N-(3-amino-3-hydroxyiminopropyl)-N-(2-methoxyethyl)-2-methyl-2-methylsulfonylpropanamide (PubChem CID 77015080) has the molecular formula C11H23N3O5S and a molecular weight of 309.39 g/mol. Its IUPAC name is N-(3-amino-3-hydroxyiminopropyl)-N-(2-methoxyethyl)-2-methyl-2-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-(3-amino-3-hydroxyiminopropyl)-N-(2-methoxyethyl)-2-methyl-2-methylsulfonylpropanamide
PubChem CID77015080
Molecular FormulaC11H23N3O5S
Molecular Weight309.39 g/mol
Exact Mass309.14
IUPAC NameN-(3-amino-3-hydroxyiminopropyl)-N-(2-methoxyethyl)-2-methyl-2-methylsulfonylpropanamide
SMILESCOCCN(CCC(N)=NO)C(=O)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C11H23N3O5S/c1-11(2,20(4,17)18)10(15)14(7-8-19-3)6-5-9(12)13-16/h16H,5-8H2,1-4H3,(H2,12,13)
InChIKeySDSVZABBHJBXEO-UHFFFAOYSA-N
XLogP-0.58
TPSA122.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 N-(3-amino-3-hydroxyiminopropyl)-N-(2-methoxyethyl)-2-methyl-2-methylsulfonylpropanamide?
The IUPAC name of N-(3-amino-3-hydroxyiminopropyl)-N-(2-methoxyethyl)-2-methyl-2-methylsulfonylpropanamide (CID 77015080) is N-(3-amino-3-hydroxyiminopropyl)-N-(2-methoxyethyl)-2-methyl-2-methylsulfonylpropanamide.
What is the SMILES notation for N-(3-amino-3-hydroxyiminopropyl)-N-(2-methoxyethyl)-2-methyl-2-methylsulfonylpropanamide?
The canonical SMILES for N-(3-amino-3-hydroxyiminopropyl)-N-(2-methoxyethyl)-2-methyl-2-methylsulfonylpropanamide is COCCN(CCC(N)=NO)C(=O)C(C)(C)S(C)(=O)=O.
What is the InChIKey of N-(3-amino-3-hydroxyiminopropyl)-N-(2-methoxyethyl)-2-methyl-2-methylsulfonylpropanamide?
The InChIKey is SDSVZABBHJBXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O5S/c1-11(2,20(4,17)18)10(15)14(7-8-19-3)6-5-9(12)13-16/h16H,5-8H2,1-4H3,(H2,12,13).
What are the key properties of N-(3-amino-3-hydroxyiminopropyl)-N-(2-methoxyethyl)-2-methyl-2-methylsulfonylpropanamide?
N-(3-amino-3-hydroxyiminopropyl)-N-(2-methoxyethyl)-2-methyl-2-methylsulfonylpropanamide has a molecular weight of 309.39 g/mol, XLogP of -0.58, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-hydroxyiminopropyl)-N-(2-methoxyethyl)-2-methyl-2-methylsulfonylpropanamide is sourced from PubChem (CID 77015080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).