2-methyl-2-(2-phenylpropylsulfonylamino)butanimidamide

C14H23N3O2S — CID 80688313

IUPAC2-methyl-2-(2-phenylpropylsulfonylamino)butanimidamide
SMILES[H]/N=C(\N)C(C)(CC)NS(=O)(=O)CC(C)c1ccccc1
InChIInChI=1S/C14H23N3O2S/c1-4-14(3,13(15)16)17-20(18,19)10-11(2)12-8-6-5-7-9-12/h5-9,11,17H,4,10H2,1-3H3,(H3,15,16)
InChIKeyUJMAUBXYPOAHRK-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.81
Rot. Bonds7

About 2-methyl-2-(2-phenylpropylsulfonylamino)butanimidamide

2-methyl-2-(2-phenylpropylsulfonylamino)butanimidamide (PubChem CID 80688313) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 2-methyl-2-(2-phenylpropylsulfonylamino)butanimidamide.

Molecular Properties

Compound Name2-methyl-2-(2-phenylpropylsulfonylamino)butanimidamide
PubChem CID80688313
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name2-methyl-2-(2-phenylpropylsulfonylamino)butanimidamide
SMILES[H]/N=C(\N)C(C)(CC)NS(=O)(=O)CC(C)c1ccccc1
InChIInChI=1S/C14H23N3O2S/c1-4-14(3,13(15)16)17-20(18,19)10-11(2)12-8-6-5-7-9-12/h5-9,11,17H,4,10H2,1-3H3,(H3,15,16)
InChIKeyUJMAUBXYPOAHRK-UHFFFAOYSA-N
XLogP1.81
TPSA96.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-(2-phenylpropylsulfonylamino)propanoic acid
CID 80686315
N-(1-hydroxy-2-methylpropan-2-yl)-2-phenylpropane-1-sulfonamide
CID 80686473
N-(1-amino-2-methylbutan-2-yl)-2-phenylpropane-1-sulfonamide
CID 80686091
N'-hydroxy-2-methyl-2-(2-phenylpropylsulfonylamino)propanimidamide
CID 80686938
2-methyl-2-(naphthalen-1-ylsulfonylamino)butanimidamide
CID 114795769
2-methyl-2-(methylsulfonylmethylsulfonylamino)butanimidamide
CID 82842401
4-(2-phenylpropylsulfonylamino)butanimidamide
CID 80687571
N-(3-cyanopentan-3-yl)-2-phenylpropane-1-sulfonamide
CID 80686247
N-(2-amino-2-methylpropyl)-2-phenylpropane-1-sulfonamide
CID 113282766
N-(2-oxopropyl)-2-phenylpropane-1-sulfonamide
CID 80686698
2-(2-phenylpropylsulfonylamino)butanoic acid
CID 80686458
(2S)-4-amino-4-oxo-2-(2-phenylpropylsulfonylamino)butanoic acid
CID 80690279

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2-phenylpropylsulfonylamino)butanimidamide?
The IUPAC name of 2-methyl-2-(2-phenylpropylsulfonylamino)butanimidamide (CID 80688313) is 2-methyl-2-(2-phenylpropylsulfonylamino)butanimidamide.
What is the SMILES notation for 2-methyl-2-(2-phenylpropylsulfonylamino)butanimidamide?
The canonical SMILES for 2-methyl-2-(2-phenylpropylsulfonylamino)butanimidamide is [H]/N=C(\N)C(C)(CC)NS(=O)(=O)CC(C)c1ccccc1.
What is the InChIKey of 2-methyl-2-(2-phenylpropylsulfonylamino)butanimidamide?
The InChIKey is UJMAUBXYPOAHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-4-14(3,13(15)16)17-20(18,19)10-11(2)12-8-6-5-7-9-12/h5-9,11,17H,4,10H2,1-3H3,(H3,15,16).
What are the key properties of 2-methyl-2-(2-phenylpropylsulfonylamino)butanimidamide?
2-methyl-2-(2-phenylpropylsulfonylamino)butanimidamide has a molecular weight of 297.42 g/mol, XLogP of 1.81, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2-phenylpropylsulfonylamino)butanimidamide is sourced from PubChem (CID 80688313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).