3-[2-methoxyethyl(methylsulfonylmethylsulfonyl)amino]propanimidamide

C8H19N3O5S2 — CID 82842993

IUPAC3-[2-methoxyethyl(methylsulfonylmethylsulfonyl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(CCOC)S(=O)(=O)CS(C)(=O)=O
InChIInChI=1S/C8H19N3O5S2/c1-16-6-5-11(4-3-8(9)10)18(14,15)7-17(2,12)13/h3-7H2,1-2H3,(H3,9,10)
InChIKeyALNDXKAYFUVWSM-UHFFFAOYSA-N
MW301.39 g/mol
LogP-1.41
Rot. Bonds9

About 3-[2-methoxyethyl(methylsulfonylmethylsulfonyl)amino]propanimidamide

3-[2-methoxyethyl(methylsulfonylmethylsulfonyl)amino]propanimidamide (PubChem CID 82842993) has the molecular formula C8H19N3O5S2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 3-[2-methoxyethyl(methylsulfonylmethylsulfonyl)amino]propanimidamide.

Molecular Properties

Compound Name3-[2-methoxyethyl(methylsulfonylmethylsulfonyl)amino]propanimidamide
PubChem CID82842993
Molecular FormulaC8H19N3O5S2
Molecular Weight301.39 g/mol
Exact Mass301.08
IUPAC Name3-[2-methoxyethyl(methylsulfonylmethylsulfonyl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(CCOC)S(=O)(=O)CS(C)(=O)=O
InChIInChI=1S/C8H19N3O5S2/c1-16-6-5-11(4-3-8(9)10)18(14,15)7-17(2,12)13/h3-7H2,1-2H3,(H3,9,10)
InChIKeyALNDXKAYFUVWSM-UHFFFAOYSA-N
XLogP-1.41
TPSA130.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 5-1.41
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxyethyl(methylsulfonylmethylsulfonyl)amino]propanimidamide?
The IUPAC name of 3-[2-methoxyethyl(methylsulfonylmethylsulfonyl)amino]propanimidamide (CID 82842993) is 3-[2-methoxyethyl(methylsulfonylmethylsulfonyl)amino]propanimidamide.
What is the SMILES notation for 3-[2-methoxyethyl(methylsulfonylmethylsulfonyl)amino]propanimidamide?
The canonical SMILES for 3-[2-methoxyethyl(methylsulfonylmethylsulfonyl)amino]propanimidamide is [H]/N=C(\N)CCN(CCOC)S(=O)(=O)CS(C)(=O)=O.
What is the InChIKey of 3-[2-methoxyethyl(methylsulfonylmethylsulfonyl)amino]propanimidamide?
The InChIKey is ALNDXKAYFUVWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O5S2/c1-16-6-5-11(4-3-8(9)10)18(14,15)7-17(2,12)13/h3-7H2,1-2H3,(H3,9,10).
What are the key properties of 3-[2-methoxyethyl(methylsulfonylmethylsulfonyl)amino]propanimidamide?
3-[2-methoxyethyl(methylsulfonylmethylsulfonyl)amino]propanimidamide has a molecular weight of 301.39 g/mol, XLogP of -1.41, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxyethyl(methylsulfonylmethylsulfonyl)amino]propanimidamide is sourced from PubChem (CID 82842993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).