2-methyl-3-[methyl(2-propan-2-yloxyethylsulfonyl)amino]propanimidamide

C10H23N3O3S — CID 79599986

IUPAC2-methyl-3-[methyl(2-propan-2-yloxyethylsulfonyl)amino]propanimidamide
SMILES[H]/N=C(\N)C(C)CN(C)S(=O)(=O)CCOC(C)C
InChIInChI=1S/C10H23N3O3S/c1-8(2)16-5-6-17(14,15)13(4)7-9(3)10(11)12/h8-9H,5-7H2,1-4H3,(H3,11,12)
InChIKeyDDEUUVRLDBCTJC-UHFFFAOYSA-N
MW265.38 g/mol
LogP0.25
Rot. Bonds8

About 2-methyl-3-[methyl(2-propan-2-yloxyethylsulfonyl)amino]propanimidamide

2-methyl-3-[methyl(2-propan-2-yloxyethylsulfonyl)amino]propanimidamide (PubChem CID 79599986) has the molecular formula C10H23N3O3S and a molecular weight of 265.38 g/mol. Its IUPAC name is 2-methyl-3-[methyl(2-propan-2-yloxyethylsulfonyl)amino]propanimidamide.

Molecular Properties

Compound Name2-methyl-3-[methyl(2-propan-2-yloxyethylsulfonyl)amino]propanimidamide
PubChem CID79599986
Molecular FormulaC10H23N3O3S
Molecular Weight265.38 g/mol
Exact Mass265.15
IUPAC Name2-methyl-3-[methyl(2-propan-2-yloxyethylsulfonyl)amino]propanimidamide
SMILES[H]/N=C(\N)C(C)CN(C)S(=O)(=O)CCOC(C)C
InChIInChI=1S/C10H23N3O3S/c1-8(2)16-5-6-17(14,15)13(4)7-9(3)10(11)12/h8-9H,5-7H2,1-4H3,(H3,11,12)
InChIKeyDDEUUVRLDBCTJC-UHFFFAOYSA-N
XLogP0.25
TPSA96.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 50.25
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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Related Compounds

2-[methyl(2-propan-2-yloxyethylsulfonyl)amino]ethanimidamide
CID 79599987
2-[ethyl(2-propan-2-yloxyethylsulfonyl)amino]ethanimidamide
CID 79600077
3-[2-methylpropyl(2-propan-2-yloxyethylsulfonyl)amino]propanimidamide
CID 79600343
3-(dimethylamino)-2-methylpropanimidamide
CID 43368046
N-methyl-N-[2-(methylamino)ethyl]-2-propan-2-yloxyethanesulfonamide
CID 79593859
3-[(3-amino-3-imino-2-methylpropyl)diazenyl]-2-methylpropanimidamide;sulfuric acid
CID 87274972
3-(2-propan-2-yloxyethylsulfonylamino)propanimidamide
CID 79601046
2-methyl-3-[methyl(3-methylbutylsulfonyl)amino]propanethioamide
CID 63857328
N-(3-amino-2-methylpropyl)-N-ethyl-2-propan-2-yloxyethanesulfonamide
CID 79594432
N-(3-aminopropyl)-N-ethyl-2-propan-2-yloxyethanesulfonamide
CID 79594690
1-(3-amino-3-imino-2-methylpropyl)-1,3,3-triethylurea
CID 79160800
N-(2-aminoethyl)-N-butyl-2-propan-2-yloxyethanesulfonamide
CID 79600959

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl(2-propan-2-yloxyethylsulfonyl)amino]propanimidamide?
The IUPAC name of 2-methyl-3-[methyl(2-propan-2-yloxyethylsulfonyl)amino]propanimidamide (CID 79599986) is 2-methyl-3-[methyl(2-propan-2-yloxyethylsulfonyl)amino]propanimidamide.
What is the SMILES notation for 2-methyl-3-[methyl(2-propan-2-yloxyethylsulfonyl)amino]propanimidamide?
The canonical SMILES for 2-methyl-3-[methyl(2-propan-2-yloxyethylsulfonyl)amino]propanimidamide is [H]/N=C(\N)C(C)CN(C)S(=O)(=O)CCOC(C)C.
What is the InChIKey of 2-methyl-3-[methyl(2-propan-2-yloxyethylsulfonyl)amino]propanimidamide?
The InChIKey is DDEUUVRLDBCTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O3S/c1-8(2)16-5-6-17(14,15)13(4)7-9(3)10(11)12/h8-9H,5-7H2,1-4H3,(H3,11,12).
What are the key properties of 2-methyl-3-[methyl(2-propan-2-yloxyethylsulfonyl)amino]propanimidamide?
2-methyl-3-[methyl(2-propan-2-yloxyethylsulfonyl)amino]propanimidamide has a molecular weight of 265.38 g/mol, XLogP of 0.25, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl(2-propan-2-yloxyethylsulfonyl)amino]propanimidamide is sourced from PubChem (CID 79599986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).