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

C9H21N3O3S — CID 79600077

IUPAC2-[ethyl(2-propan-2-yloxyethylsulfonyl)amino]ethanimidamide
SMILES[H]/N=C(\N)CN(CC)S(=O)(=O)CCOC(C)C
InChIInChI=1S/C9H21N3O3S/c1-4-12(7-9(10)11)16(13,14)6-5-15-8(2)3/h8H,4-7H2,1-3H3,(H3,10,11)
InChIKeyIQWCTVALONVVFI-UHFFFAOYSA-N
MW251.35 g/mol
LogP-0.00
Rot. Bonds8

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

2-[ethyl(2-propan-2-yloxyethylsulfonyl)amino]ethanimidamide (PubChem CID 79600077) has the molecular formula C9H21N3O3S and a molecular weight of 251.35 g/mol. Its IUPAC name is 2-[ethyl(2-propan-2-yloxyethylsulfonyl)amino]ethanimidamide.

Molecular Properties

Compound Name2-[ethyl(2-propan-2-yloxyethylsulfonyl)amino]ethanimidamide
PubChem CID79600077
Molecular FormulaC9H21N3O3S
Molecular Weight251.35 g/mol
Exact Mass251.13
IUPAC Name2-[ethyl(2-propan-2-yloxyethylsulfonyl)amino]ethanimidamide
SMILES[H]/N=C(\N)CN(CC)S(=O)(=O)CCOC(C)C
InChIInChI=1S/C9H21N3O3S/c1-4-12(7-9(10)11)16(13,14)6-5-15-8(2)3/h8H,4-7H2,1-3H3,(H3,10,11)
InChIKeyIQWCTVALONVVFI-UHFFFAOYSA-N
XLogP-0.00
TPSA96.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 5-0.00
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-[ethyl(2-propan-2-yloxyethylsulfonyl)amino]ethanimidamide?
The IUPAC name of 2-[ethyl(2-propan-2-yloxyethylsulfonyl)amino]ethanimidamide (CID 79600077) is 2-[ethyl(2-propan-2-yloxyethylsulfonyl)amino]ethanimidamide.
What is the SMILES notation for 2-[ethyl(2-propan-2-yloxyethylsulfonyl)amino]ethanimidamide?
The canonical SMILES for 2-[ethyl(2-propan-2-yloxyethylsulfonyl)amino]ethanimidamide is [H]/N=C(\N)CN(CC)S(=O)(=O)CCOC(C)C.
What is the InChIKey of 2-[ethyl(2-propan-2-yloxyethylsulfonyl)amino]ethanimidamide?
The InChIKey is IQWCTVALONVVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O3S/c1-4-12(7-9(10)11)16(13,14)6-5-15-8(2)3/h8H,4-7H2,1-3H3,(H3,10,11).
What are the key properties of 2-[ethyl(2-propan-2-yloxyethylsulfonyl)amino]ethanimidamide?
2-[ethyl(2-propan-2-yloxyethylsulfonyl)amino]ethanimidamide has a molecular weight of 251.35 g/mol, XLogP of -0.00, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(2-propan-2-yloxyethylsulfonyl)amino]ethanimidamide is sourced from PubChem (CID 79600077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).