2-methyl-2-(methylsulfonylmethylsulfonylamino)butanimidamide

C7H17N3O4S2 — CID 82842401

IUPAC2-methyl-2-(methylsulfonylmethylsulfonylamino)butanimidamide
SMILES[H]/N=C(\N)C(C)(CC)NS(=O)(=O)CS(C)(=O)=O
InChIInChI=1S/C7H17N3O4S2/c1-4-7(2,6(8)9)10-16(13,14)5-15(3,11)12/h10H,4-5H2,1-3H3,(H3,8,9)
InChIKeyCOQDCHKTYRWIDZ-UHFFFAOYSA-N
MW271.36 g/mol
LogP-0.99
Rot. Bonds6

About 2-methyl-2-(methylsulfonylmethylsulfonylamino)butanimidamide

2-methyl-2-(methylsulfonylmethylsulfonylamino)butanimidamide (PubChem CID 82842401) has the molecular formula C7H17N3O4S2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-methyl-2-(methylsulfonylmethylsulfonylamino)butanimidamide.

Molecular Properties

Compound Name2-methyl-2-(methylsulfonylmethylsulfonylamino)butanimidamide
PubChem CID82842401
Molecular FormulaC7H17N3O4S2
Molecular Weight271.36 g/mol
Exact Mass271.07
IUPAC Name2-methyl-2-(methylsulfonylmethylsulfonylamino)butanimidamide
SMILES[H]/N=C(\N)C(C)(CC)NS(=O)(=O)CS(C)(=O)=O
InChIInChI=1S/C7H17N3O4S2/c1-4-7(2,6(8)9)10-16(13,14)5-15(3,11)12/h10H,4-5H2,1-3H3,(H3,8,9)
InChIKeyCOQDCHKTYRWIDZ-UHFFFAOYSA-N
XLogP-0.99
TPSA130.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 5-0.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-(cyclopentylsulfonylamino)-2-methylbutanimidamide
CID 105361960
2-(cyclopropylsulfamoylamino)-2-methylbutanimidamide
CID 114813404
2-methyl-2-(2-phenylpropylsulfonylamino)butanimidamide
CID 80688313
2-methyl-2-(naphthalen-1-ylsulfonylamino)butanimidamide
CID 114795769
2-(ethylsulfamoylamino)-2-methylpropanimidamide
CID 114813182
2-(butylsulfonylamino)-2-methylbutanethioamide
CID 61124679
2-ethyl-2-(ethylsulfamoylamino)butanimidamide
CID 114813315
2-hydroxy-2-methylbutanimidamide
CID 23422942
3-(ethylsulfamoylamino)-2,2-dimethylpropanimidamide
CID 114813617
2-(2,2-dimethylpropylsulfonylamino)-2-methylbutanoic acid
CID 79792159
methyl 4-[(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)sulfamoyl]butanoate
CID 54952425
N-(2-methylbut-3-yn-2-yl)-1-methylsulfonylmethanesulfonamide
CID 82842086

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(methylsulfonylmethylsulfonylamino)butanimidamide?
The IUPAC name of 2-methyl-2-(methylsulfonylmethylsulfonylamino)butanimidamide (CID 82842401) is 2-methyl-2-(methylsulfonylmethylsulfonylamino)butanimidamide.
What is the SMILES notation for 2-methyl-2-(methylsulfonylmethylsulfonylamino)butanimidamide?
The canonical SMILES for 2-methyl-2-(methylsulfonylmethylsulfonylamino)butanimidamide is [H]/N=C(\N)C(C)(CC)NS(=O)(=O)CS(C)(=O)=O.
What is the InChIKey of 2-methyl-2-(methylsulfonylmethylsulfonylamino)butanimidamide?
The InChIKey is COQDCHKTYRWIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O4S2/c1-4-7(2,6(8)9)10-16(13,14)5-15(3,11)12/h10H,4-5H2,1-3H3,(H3,8,9).
What are the key properties of 2-methyl-2-(methylsulfonylmethylsulfonylamino)butanimidamide?
2-methyl-2-(methylsulfonylmethylsulfonylamino)butanimidamide has a molecular weight of 271.36 g/mol, XLogP of -0.99, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylsulfonylmethylsulfonylamino)butanimidamide is sourced from PubChem (CID 82842401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).