2-methyl-2-(naphthalen-1-ylsulfonylamino)butanimidamide

C15H19N3O2S — CID 114795769

IUPAC2-methyl-2-(naphthalen-1-ylsulfonylamino)butanimidamide
SMILES[H]/N=C(\N)C(C)(CC)NS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C15H19N3O2S/c1-3-15(2,14(16)17)18-21(19,20)13-10-6-8-11-7-4-5-9-12(11)13/h4-10,18H,3H2,1-2H3,(H3,16,17)
InChIKeyLCWVUKVYZKOPIM-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.22
Rot. Bonds5

About 2-methyl-2-(naphthalen-1-ylsulfonylamino)butanimidamide

2-methyl-2-(naphthalen-1-ylsulfonylamino)butanimidamide (PubChem CID 114795769) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 2-methyl-2-(naphthalen-1-ylsulfonylamino)butanimidamide.

Molecular Properties

Compound Name2-methyl-2-(naphthalen-1-ylsulfonylamino)butanimidamide
PubChem CID114795769
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name2-methyl-2-(naphthalen-1-ylsulfonylamino)butanimidamide
SMILES[H]/N=C(\N)C(C)(CC)NS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C15H19N3O2S/c1-3-15(2,14(16)17)18-21(19,20)13-10-6-8-11-7-4-5-9-12(11)13/h4-10,18H,3H2,1-2H3,(H3,16,17)
InChIKeyLCWVUKVYZKOPIM-UHFFFAOYSA-N
XLogP2.22
TPSA96.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.22
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-(3-methylpentan-3-yl)naphthalene-1-sulfonamide
CID 103740938
N-[3-(bromomethyl)pentan-3-yl]naphthalene-1-sulfonamide
CID 114795664
N-(2-methylpentan-2-yl)naphthalene-1-sulfonamide
CID 115684135
N-(trifluoromethyl)naphthalene-1-sulfonamide
CID 19040009
4-(naphthalen-1-ylsulfonylamino)butanimidamide
CID 114795765
2-methyl-2-(quinolin-5-ylsulfonylamino)butanethioamide
CID 104773637
2-methyl-2-(methylsulfonylmethylsulfonylamino)butanimidamide
CID 82842401
N-(2-amino-2-methylpropyl)naphthalene-1-sulfonamide
CID 84591300
2-[(2-chlorophenyl)sulfonylamino]-2-methylbutanethioamide
CID 61123488
2-(benzenesulfonamido)-2-methylbutanethioamide
CID 61124279
N-[2-(naphthalen-1-ylsulfonylamino)ethyl]propanamide
CID 170551201
N-(1-amino-2-cyclopropylpropan-2-yl)naphthalene-1-sulfonamide;hydrochloride
CID 119981674

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(naphthalen-1-ylsulfonylamino)butanimidamide?
The IUPAC name of 2-methyl-2-(naphthalen-1-ylsulfonylamino)butanimidamide (CID 114795769) is 2-methyl-2-(naphthalen-1-ylsulfonylamino)butanimidamide.
What is the SMILES notation for 2-methyl-2-(naphthalen-1-ylsulfonylamino)butanimidamide?
The canonical SMILES for 2-methyl-2-(naphthalen-1-ylsulfonylamino)butanimidamide is [H]/N=C(\N)C(C)(CC)NS(=O)(=O)c1cccc2ccccc12.
What is the InChIKey of 2-methyl-2-(naphthalen-1-ylsulfonylamino)butanimidamide?
The InChIKey is LCWVUKVYZKOPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-3-15(2,14(16)17)18-21(19,20)13-10-6-8-11-7-4-5-9-12(11)13/h4-10,18H,3H2,1-2H3,(H3,16,17).
What are the key properties of 2-methyl-2-(naphthalen-1-ylsulfonylamino)butanimidamide?
2-methyl-2-(naphthalen-1-ylsulfonylamino)butanimidamide has a molecular weight of 305.40 g/mol, XLogP of 2.22, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(naphthalen-1-ylsulfonylamino)butanimidamide is sourced from PubChem (CID 114795769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).