4-(2-phenylpropylsulfonylamino)butanimidamide

C13H21N3O2S — CID 80687571

IUPAC4-(2-phenylpropylsulfonylamino)butanimidamide
SMILES[H]/N=C(\N)CCCNS(=O)(=O)CC(C)c1ccccc1
InChIInChI=1S/C13H21N3O2S/c1-11(12-6-3-2-4-7-12)10-19(17,18)16-9-5-8-13(14)15/h2-4,6-7,11,16H,5,8-10H2,1H3,(H3,14,15)
InChIKeyWAUHZJGIRULDDJ-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.43
Rot. Bonds8

About 4-(2-phenylpropylsulfonylamino)butanimidamide

4-(2-phenylpropylsulfonylamino)butanimidamide (PubChem CID 80687571) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is 4-(2-phenylpropylsulfonylamino)butanimidamide.

Molecular Properties

Compound Name4-(2-phenylpropylsulfonylamino)butanimidamide
PubChem CID80687571
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name4-(2-phenylpropylsulfonylamino)butanimidamide
SMILES[H]/N=C(\N)CCCNS(=O)(=O)CC(C)c1ccccc1
InChIInChI=1S/C13H21N3O2S/c1-11(12-6-3-2-4-7-12)10-19(17,18)16-9-5-8-13(14)15/h2-4,6-7,11,16H,5,8-10H2,1H3,(H3,14,15)
InChIKeyWAUHZJGIRULDDJ-UHFFFAOYSA-N
XLogP1.43
TPSA96.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-(6-bromohexyl)-2-phenylpropane-1-sulfonamide
CID 107848755
N-(3-hydroxybutyl)-2-phenylpropane-1-sulfonamide
CID 80686188
N-[3-(2-hydroxyethoxy)propyl]-2-phenylpropane-1-sulfonamide
CID 104600558
4-(naphthalen-1-ylsulfonylamino)butanimidamide
CID 114795765
N-[2-(ethylamino)ethyl]-2-phenylpropane-1-sulfonamide
CID 80686787
2-(2-phenylpropylsulfonylamino)ethanesulfonyl chloride
CID 81358184
2-methyl-2-(2-phenylpropylsulfonylamino)butanimidamide
CID 80688313
N-(3-hydroxy-2-methylpropyl)-2-phenylpropane-1-sulfonamide
CID 80686189
N-(2-amino-2-methylpropyl)-2-phenylpropane-1-sulfonamide
CID 113282766
N-(2-oxopropyl)-2-phenylpropane-1-sulfonamide
CID 80686698
3-phenylbutanimidamide;hydrochloride
CID 69158161
N-(1,3-dihydroxypropan-2-yl)-2-phenylpropane-1-sulfonamide
CID 80686550

Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylpropylsulfonylamino)butanimidamide?
The IUPAC name of 4-(2-phenylpropylsulfonylamino)butanimidamide (CID 80687571) is 4-(2-phenylpropylsulfonylamino)butanimidamide.
What is the SMILES notation for 4-(2-phenylpropylsulfonylamino)butanimidamide?
The canonical SMILES for 4-(2-phenylpropylsulfonylamino)butanimidamide is [H]/N=C(\N)CCCNS(=O)(=O)CC(C)c1ccccc1.
What is the InChIKey of 4-(2-phenylpropylsulfonylamino)butanimidamide?
The InChIKey is WAUHZJGIRULDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-11(12-6-3-2-4-7-12)10-19(17,18)16-9-5-8-13(14)15/h2-4,6-7,11,16H,5,8-10H2,1H3,(H3,14,15).
What are the key properties of 4-(2-phenylpropylsulfonylamino)butanimidamide?
4-(2-phenylpropylsulfonylamino)butanimidamide has a molecular weight of 283.40 g/mol, XLogP of 1.43, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylpropylsulfonylamino)butanimidamide is sourced from PubChem (CID 80687571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).