N'-hydroxy-3-[2-methoxyethyl(2-methylsulfonylethyl)amino]propanimidamide

C9H21N3O4S — CID 76993993

IUPACN'-hydroxy-3-[2-methoxyethyl(2-methylsulfonylethyl)amino]propanimidamide
SMILESCOCCN(CCC(N)=NO)CCS(C)(=O)=O
InChIInChI=1S/C9H21N3O4S/c1-16-7-5-12(4-3-9(10)11-13)6-8-17(2,14)15/h13H,3-8H2,1-2H3,(H2,10,11)
InChIKeyHTPSNRGZIPSLRC-UHFFFAOYSA-N
MW267.35 g/mol
LogP-0.88
Rot. Bonds9

About N'-hydroxy-3-[2-methoxyethyl(2-methylsulfonylethyl)amino]propanimidamide

N'-hydroxy-3-[2-methoxyethyl(2-methylsulfonylethyl)amino]propanimidamide (PubChem CID 76993993) has the molecular formula C9H21N3O4S and a molecular weight of 267.35 g/mol. Its IUPAC name is N'-hydroxy-3-[2-methoxyethyl(2-methylsulfonylethyl)amino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[2-methoxyethyl(2-methylsulfonylethyl)amino]propanimidamide
PubChem CID76993993
Molecular FormulaC9H21N3O4S
Molecular Weight267.35 g/mol
Exact Mass267.13
IUPAC NameN'-hydroxy-3-[2-methoxyethyl(2-methylsulfonylethyl)amino]propanimidamide
SMILESCOCCN(CCC(N)=NO)CCS(C)(=O)=O
InChIInChI=1S/C9H21N3O4S/c1-16-7-5-12(4-3-9(10)11-13)6-8-17(2,14)15/h13H,3-8H2,1-2H3,(H2,10,11)
InChIKeyHTPSNRGZIPSLRC-UHFFFAOYSA-N
XLogP-0.88
TPSA105.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 5-0.88
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'-hydroxy-3-[2-methoxyethyl(2-methylsulfonylethyl)amino]propanimidamide?
The IUPAC name of N'-hydroxy-3-[2-methoxyethyl(2-methylsulfonylethyl)amino]propanimidamide (CID 76993993) is N'-hydroxy-3-[2-methoxyethyl(2-methylsulfonylethyl)amino]propanimidamide.
What is the SMILES notation for N'-hydroxy-3-[2-methoxyethyl(2-methylsulfonylethyl)amino]propanimidamide?
The canonical SMILES for N'-hydroxy-3-[2-methoxyethyl(2-methylsulfonylethyl)amino]propanimidamide is COCCN(CCC(N)=NO)CCS(C)(=O)=O.
What is the InChIKey of N'-hydroxy-3-[2-methoxyethyl(2-methylsulfonylethyl)amino]propanimidamide?
The InChIKey is HTPSNRGZIPSLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O4S/c1-16-7-5-12(4-3-9(10)11-13)6-8-17(2,14)15/h13H,3-8H2,1-2H3,(H2,10,11).
What are the key properties of N'-hydroxy-3-[2-methoxyethyl(2-methylsulfonylethyl)amino]propanimidamide?
N'-hydroxy-3-[2-methoxyethyl(2-methylsulfonylethyl)amino]propanimidamide has a molecular weight of 267.35 g/mol, XLogP of -0.88, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[2-methoxyethyl(2-methylsulfonylethyl)amino]propanimidamide is sourced from PubChem (CID 76993993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).