3-(ethylsulfamoylamino)-2,2-dimethylpropanimidamide

C7H18N4O2S — CID 114813617

IUPAC3-(ethylsulfamoylamino)-2,2-dimethylpropanimidamide
SMILES[H]/N=C(\N)C(C)(C)CNS(=O)(=O)NCC
InChIInChI=1S/C7H18N4O2S/c1-4-10-14(12,13)11-5-7(2,3)6(8)9/h10-11H,4-5H2,1-3H3,(H3,8,9)
InChIKeyIDBKKSOVYIWOJH-UHFFFAOYSA-N
MW222.31 g/mol
LogP-0.61
Rot. Bonds6

About 3-(ethylsulfamoylamino)-2,2-dimethylpropanimidamide

3-(ethylsulfamoylamino)-2,2-dimethylpropanimidamide (PubChem CID 114813617) has the molecular formula C7H18N4O2S and a molecular weight of 222.31 g/mol. Its IUPAC name is 3-(ethylsulfamoylamino)-2,2-dimethylpropanimidamide.

Molecular Properties

Compound Name3-(ethylsulfamoylamino)-2,2-dimethylpropanimidamide
PubChem CID114813617
Molecular FormulaC7H18N4O2S
Molecular Weight222.31 g/mol
Exact Mass222.12
IUPAC Name3-(ethylsulfamoylamino)-2,2-dimethylpropanimidamide
SMILES[H]/N=C(\N)C(C)(C)CNS(=O)(=O)NCC
InChIInChI=1S/C7H18N4O2S/c1-4-10-14(12,13)11-5-7(2,3)6(8)9/h10-11H,4-5H2,1-3H3,(H3,8,9)
InChIKeyIDBKKSOVYIWOJH-UHFFFAOYSA-N
XLogP-0.61
TPSA108.07 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 5-0.61
H-Bond Donors ≤ 54
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-(ethylsulfamoylamino)-2-methylpropanimidamide
CID 114813182
2-ethyl-2-(ethylsulfamoylamino)butanimidamide
CID 114813315
1-(ethylsulfamoylamino)-2-methylpropan-2-ol
CID 110626852
2-ethyl-2-[(ethylsulfamoylamino)methyl]butan-1-ol
CID 103844857
(ethylsulfamoylamino)methanol
CID 117126069
2-hydroxy-2-methylbutanimidamide
CID 23422942
2-(cyclopropylsulfamoylamino)-2-methylbutanimidamide
CID 114813404
2-(ethylsulfamoylamino)-N'-hydroxyethanimidamide
CID 104978310
2,2,4,4-tetramethylhexanimidamide
CID 123171886
2-methyl-2-(methylsulfonylmethylsulfonylamino)butanimidamide
CID 82842401
2-ethyl-2-(ethylsulfamoylamino)butanethioamide
CID 114808170
2,2-dimethyl-3-(2,2,2-trifluoroethylsulfamoylamino)propanoic acid
CID 114806866

Frequently Asked Questions

What is the IUPAC name of 3-(ethylsulfamoylamino)-2,2-dimethylpropanimidamide?
The IUPAC name of 3-(ethylsulfamoylamino)-2,2-dimethylpropanimidamide (CID 114813617) is 3-(ethylsulfamoylamino)-2,2-dimethylpropanimidamide.
What is the SMILES notation for 3-(ethylsulfamoylamino)-2,2-dimethylpropanimidamide?
The canonical SMILES for 3-(ethylsulfamoylamino)-2,2-dimethylpropanimidamide is [H]/N=C(\N)C(C)(C)CNS(=O)(=O)NCC.
What is the InChIKey of 3-(ethylsulfamoylamino)-2,2-dimethylpropanimidamide?
The InChIKey is IDBKKSOVYIWOJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N4O2S/c1-4-10-14(12,13)11-5-7(2,3)6(8)9/h10-11H,4-5H2,1-3H3,(H3,8,9).
What are the key properties of 3-(ethylsulfamoylamino)-2,2-dimethylpropanimidamide?
3-(ethylsulfamoylamino)-2,2-dimethylpropanimidamide has a molecular weight of 222.31 g/mol, XLogP of -0.61, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylsulfamoylamino)-2,2-dimethylpropanimidamide is sourced from PubChem (CID 114813617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).