2-(cyclopentylsulfonylamino)-2-methylbutanimidamide

C10H21N3O2S — CID 105361960

IUPAC2-(cyclopentylsulfonylamino)-2-methylbutanimidamide
SMILES[H]/N=C(\N)C(C)(CC)NS(=O)(=O)C1CCCC1
InChIInChI=1S/C10H21N3O2S/c1-3-10(2,9(11)12)13-16(14,15)8-6-4-5-7-8/h8,13H,3-7H2,1-2H3,(H3,11,12)
InChIKeyGFLPEEBJXZEFHV-UHFFFAOYSA-N
MW247.36 g/mol
LogP0.95
Rot. Bonds5

About 2-(cyclopentylsulfonylamino)-2-methylbutanimidamide

2-(cyclopentylsulfonylamino)-2-methylbutanimidamide (PubChem CID 105361960) has the molecular formula C10H21N3O2S and a molecular weight of 247.36 g/mol. Its IUPAC name is 2-(cyclopentylsulfonylamino)-2-methylbutanimidamide.

Molecular Properties

Compound Name2-(cyclopentylsulfonylamino)-2-methylbutanimidamide
PubChem CID105361960
Molecular FormulaC10H21N3O2S
Molecular Weight247.36 g/mol
Exact Mass247.14
IUPAC Name2-(cyclopentylsulfonylamino)-2-methylbutanimidamide
SMILES[H]/N=C(\N)C(C)(CC)NS(=O)(=O)C1CCCC1
InChIInChI=1S/C10H21N3O2S/c1-3-10(2,9(11)12)13-16(14,15)8-6-4-5-7-8/h8,13H,3-7H2,1-2H3,(H3,11,12)
InChIKeyGFLPEEBJXZEFHV-UHFFFAOYSA-N
XLogP0.95
TPSA96.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 50.95
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-(cyclopropylsulfamoylamino)-2-methylbutanimidamide
CID 114813404
2-methyl-2-(methylsulfonylmethylsulfonylamino)butanimidamide
CID 82842401
N-(1-hydroxy-2-methylbutan-2-yl)cyclopentanesulfonamide
CID 105361290
(cyclohexylsulfonylamino) 2,2-dimethylbutanoate
CID 59502986
2-methyl-2-(naphthalen-1-ylsulfonylamino)butanimidamide
CID 114795769
N-(3-amino-2-methylbutan-2-yl)cyclopentanesulfonamide
CID 105361891
N-(2-cyanobutan-2-yl)cyclohexanesulfonamide
CID 61122113
N-(1-amino-2-cyclopropylpropan-2-yl)cyclopentanesulfonamide
CID 115752437
1-(cyclopentylsulfonylamino)-4-ethylcyclohexane-1-carboximidamide
CID 105361944
2-ethyl-2-(ethylsulfamoylamino)butanimidamide
CID 114813315
2-[cyclopentylsulfonyl(methyl)amino]ethanimidamide
CID 105361938
2-methyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]butanamide
CID 112738058

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylsulfonylamino)-2-methylbutanimidamide?
The IUPAC name of 2-(cyclopentylsulfonylamino)-2-methylbutanimidamide (CID 105361960) is 2-(cyclopentylsulfonylamino)-2-methylbutanimidamide.
What is the SMILES notation for 2-(cyclopentylsulfonylamino)-2-methylbutanimidamide?
The canonical SMILES for 2-(cyclopentylsulfonylamino)-2-methylbutanimidamide is [H]/N=C(\N)C(C)(CC)NS(=O)(=O)C1CCCC1.
What is the InChIKey of 2-(cyclopentylsulfonylamino)-2-methylbutanimidamide?
The InChIKey is GFLPEEBJXZEFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2S/c1-3-10(2,9(11)12)13-16(14,15)8-6-4-5-7-8/h8,13H,3-7H2,1-2H3,(H3,11,12).
What are the key properties of 2-(cyclopentylsulfonylamino)-2-methylbutanimidamide?
2-(cyclopentylsulfonylamino)-2-methylbutanimidamide has a molecular weight of 247.36 g/mol, XLogP of 0.95, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylsulfonylamino)-2-methylbutanimidamide is sourced from PubChem (CID 105361960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).