4-(methanesulfonamido)-3-phenylbutanimidamide

C11H17N3O2S — CID 154705595

IUPAC4-(methanesulfonamido)-3-phenylbutanimidamide
SMILES[H]/N=C(\N)CC(CNS(C)(=O)=O)c1ccccc1
InChIInChI=1S/C11H17N3O2S/c1-17(15,16)14-8-10(7-11(12)13)9-5-3-2-4-6-9/h2-6,10,14H,7-8H2,1H3,(H3,12,13)
InChIKeyOJHWZFWWZXVJML-UHFFFAOYSA-N
MW255.34 g/mol
LogP0.65
Rot. Bonds6

About 4-(methanesulfonamido)-3-phenylbutanimidamide

4-(methanesulfonamido)-3-phenylbutanimidamide (PubChem CID 154705595) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 4-(methanesulfonamido)-3-phenylbutanimidamide.

Molecular Properties

Compound Name4-(methanesulfonamido)-3-phenylbutanimidamide
PubChem CID154705595
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name4-(methanesulfonamido)-3-phenylbutanimidamide
SMILES[H]/N=C(\N)CC(CNS(C)(=O)=O)c1ccccc1
InChIInChI=1S/C11H17N3O2S/c1-17(15,16)14-8-10(7-11(12)13)9-5-3-2-4-6-9/h2-6,10,14H,7-8H2,1H3,(H3,12,13)
InChIKeyOJHWZFWWZXVJML-UHFFFAOYSA-N
XLogP0.65
TPSA96.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 50.65
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

N-[(2R)-2-amino-2-phenylethyl]methanesulfonamide
CID 10656269
3-phenylbutanimidamide;hydrochloride
CID 69158161
N-(2-phenylpropyl)methanesulfonamide
CID 47121755
4-amino-4-imino-2-phenylbutanoic acid
CID 139654605
N-[3-(4-methylphenyl)sulfonyl-2-phenylpropyl]methanesulfonamide
CID 15423591
4-(2-phenylpropylsulfonylamino)butanimidamide
CID 80687571
3-(3-benzoylphenyl)butanimidamide;hydrochloride
CID 141113823
3-[2-methylpropyl(propan-2-yl)amino]-3-phenylpropanimidamide
CID 55117825
4-(methanesulfonamido)-2-phenyl-3-sulfanylbutanoic acid
CID 57308032
3-(2-methylpropylsulfanyl)-3-phenylpropanimidamide
CID 62779114
(3S)-3-phenyl-4-[(2,3,5,6-tetramethylphenyl)sulfonylamino]butanoic acid
CID 7044554
3-(4-methylpiperazin-1-yl)-3-phenylpropanimidamide
CID 55117254

Frequently Asked Questions

What is the IUPAC name of 4-(methanesulfonamido)-3-phenylbutanimidamide?
The IUPAC name of 4-(methanesulfonamido)-3-phenylbutanimidamide (CID 154705595) is 4-(methanesulfonamido)-3-phenylbutanimidamide.
What is the SMILES notation for 4-(methanesulfonamido)-3-phenylbutanimidamide?
The canonical SMILES for 4-(methanesulfonamido)-3-phenylbutanimidamide is [H]/N=C(\N)CC(CNS(C)(=O)=O)c1ccccc1.
What is the InChIKey of 4-(methanesulfonamido)-3-phenylbutanimidamide?
The InChIKey is OJHWZFWWZXVJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-17(15,16)14-8-10(7-11(12)13)9-5-3-2-4-6-9/h2-6,10,14H,7-8H2,1H3,(H3,12,13).
What are the key properties of 4-(methanesulfonamido)-3-phenylbutanimidamide?
4-(methanesulfonamido)-3-phenylbutanimidamide has a molecular weight of 255.34 g/mol, XLogP of 0.65, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methanesulfonamido)-3-phenylbutanimidamide is sourced from PubChem (CID 154705595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).