3-(2-propan-2-yloxyethylsulfonylamino)propanimidamide

C8H19N3O3S — CID 79601046

IUPAC3-(2-propan-2-yloxyethylsulfonylamino)propanimidamide
SMILES[H]/N=C(\N)CCNS(=O)(=O)CCOC(C)C
InChIInChI=1S/C8H19N3O3S/c1-7(2)14-5-6-15(12,13)11-4-3-8(9)10/h7,11H,3-6H2,1-2H3,(H3,9,10)
InChIKeyLENCMFNQQFOESF-UHFFFAOYSA-N
MW237.32 g/mol
LogP-0.34
Rot. Bonds8

About 3-(2-propan-2-yloxyethylsulfonylamino)propanimidamide

3-(2-propan-2-yloxyethylsulfonylamino)propanimidamide (PubChem CID 79601046) has the molecular formula C8H19N3O3S and a molecular weight of 237.32 g/mol. Its IUPAC name is 3-(2-propan-2-yloxyethylsulfonylamino)propanimidamide.

Molecular Properties

Compound Name3-(2-propan-2-yloxyethylsulfonylamino)propanimidamide
PubChem CID79601046
Molecular FormulaC8H19N3O3S
Molecular Weight237.32 g/mol
Exact Mass237.11
IUPAC Name3-(2-propan-2-yloxyethylsulfonylamino)propanimidamide
SMILES[H]/N=C(\N)CCNS(=O)(=O)CCOC(C)C
InChIInChI=1S/C8H19N3O3S/c1-7(2)14-5-6-15(12,13)11-4-3-8(9)10/h7,11H,3-6H2,1-2H3,(H3,9,10)
InChIKeyLENCMFNQQFOESF-UHFFFAOYSA-N
XLogP-0.34
TPSA105.27 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
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 3-(2-propan-2-yloxyethylsulfonylamino)propanimidamide?
The IUPAC name of 3-(2-propan-2-yloxyethylsulfonylamino)propanimidamide (CID 79601046) is 3-(2-propan-2-yloxyethylsulfonylamino)propanimidamide.
What is the SMILES notation for 3-(2-propan-2-yloxyethylsulfonylamino)propanimidamide?
The canonical SMILES for 3-(2-propan-2-yloxyethylsulfonylamino)propanimidamide is [H]/N=C(\N)CCNS(=O)(=O)CCOC(C)C.
What is the InChIKey of 3-(2-propan-2-yloxyethylsulfonylamino)propanimidamide?
The InChIKey is LENCMFNQQFOESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O3S/c1-7(2)14-5-6-15(12,13)11-4-3-8(9)10/h7,11H,3-6H2,1-2H3,(H3,9,10).
What are the key properties of 3-(2-propan-2-yloxyethylsulfonylamino)propanimidamide?
3-(2-propan-2-yloxyethylsulfonylamino)propanimidamide has a molecular weight of 237.32 g/mol, XLogP of -0.34, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-propan-2-yloxyethylsulfonylamino)propanimidamide is sourced from PubChem (CID 79601046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).