2-[methyl(2-propan-2-yloxyethylsulfonyl)amino]ethanimidamide

C8H19N3O3S — CID 79599987

IUPAC2-[methyl(2-propan-2-yloxyethylsulfonyl)amino]ethanimidamide
SMILES[H]/N=C(\N)CN(C)S(=O)(=O)CCOC(C)C
InChIInChI=1S/C8H19N3O3S/c1-7(2)14-4-5-15(12,13)11(3)6-8(9)10/h7H,4-6H2,1-3H3,(H3,9,10)
InChIKeyKHVFBJQEAUVRLH-UHFFFAOYSA-N
MW237.32 g/mol
LogP-0.39
Rot. Bonds7

About 2-[methyl(2-propan-2-yloxyethylsulfonyl)amino]ethanimidamide

2-[methyl(2-propan-2-yloxyethylsulfonyl)amino]ethanimidamide (PubChem CID 79599987) has the molecular formula C8H19N3O3S and a molecular weight of 237.32 g/mol. Its IUPAC name is 2-[methyl(2-propan-2-yloxyethylsulfonyl)amino]ethanimidamide.

Molecular Properties

Compound Name2-[methyl(2-propan-2-yloxyethylsulfonyl)amino]ethanimidamide
PubChem CID79599987
Molecular FormulaC8H19N3O3S
Molecular Weight237.32 g/mol
Exact Mass237.11
IUPAC Name2-[methyl(2-propan-2-yloxyethylsulfonyl)amino]ethanimidamide
SMILES[H]/N=C(\N)CN(C)S(=O)(=O)CCOC(C)C
InChIInChI=1S/C8H19N3O3S/c1-7(2)14-4-5-15(12,13)11(3)6-8(9)10/h7H,4-6H2,1-3H3,(H3,9,10)
InChIKeyKHVFBJQEAUVRLH-UHFFFAOYSA-N
XLogP-0.39
TPSA96.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 2-[methyl(2-propan-2-yloxyethylsulfonyl)amino]ethanimidamide?
The IUPAC name of 2-[methyl(2-propan-2-yloxyethylsulfonyl)amino]ethanimidamide (CID 79599987) is 2-[methyl(2-propan-2-yloxyethylsulfonyl)amino]ethanimidamide.
What is the SMILES notation for 2-[methyl(2-propan-2-yloxyethylsulfonyl)amino]ethanimidamide?
The canonical SMILES for 2-[methyl(2-propan-2-yloxyethylsulfonyl)amino]ethanimidamide is [H]/N=C(\N)CN(C)S(=O)(=O)CCOC(C)C.
What is the InChIKey of 2-[methyl(2-propan-2-yloxyethylsulfonyl)amino]ethanimidamide?
The InChIKey is KHVFBJQEAUVRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O3S/c1-7(2)14-4-5-15(12,13)11(3)6-8(9)10/h7H,4-6H2,1-3H3,(H3,9,10).
What are the key properties of 2-[methyl(2-propan-2-yloxyethylsulfonyl)amino]ethanimidamide?
2-[methyl(2-propan-2-yloxyethylsulfonyl)amino]ethanimidamide has a molecular weight of 237.32 g/mol, XLogP of -0.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2-propan-2-yloxyethylsulfonyl)amino]ethanimidamide is sourced from PubChem (CID 79599987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).