2-(cyclopropylsulfamoylamino)-2-methylbutanimidamide

C8H18N4O2S — CID 114813404

IUPAC2-(cyclopropylsulfamoylamino)-2-methylbutanimidamide
SMILES[H]/N=C(\N)C(C)(CC)NS(=O)(=O)NC1CC1
InChIInChI=1S/C8H18N4O2S/c1-3-8(2,7(9)10)12-15(13,14)11-6-4-5-6/h6,11-12H,3-5H2,1-2H3,(H3,9,10)
InChIKeyBJHRTDLXPSVFGC-UHFFFAOYSA-N
MW234.32 g/mol
LogP-0.32
Rot. Bonds6

About 2-(cyclopropylsulfamoylamino)-2-methylbutanimidamide

2-(cyclopropylsulfamoylamino)-2-methylbutanimidamide (PubChem CID 114813404) has the molecular formula C8H18N4O2S and a molecular weight of 234.32 g/mol. Its IUPAC name is 2-(cyclopropylsulfamoylamino)-2-methylbutanimidamide.

Molecular Properties

Compound Name2-(cyclopropylsulfamoylamino)-2-methylbutanimidamide
PubChem CID114813404
Molecular FormulaC8H18N4O2S
Molecular Weight234.32 g/mol
Exact Mass234.12
IUPAC Name2-(cyclopropylsulfamoylamino)-2-methylbutanimidamide
SMILES[H]/N=C(\N)C(C)(CC)NS(=O)(=O)NC1CC1
InChIInChI=1S/C8H18N4O2S/c1-3-8(2,7(9)10)12-15(13,14)11-6-4-5-6/h6,11-12H,3-5H2,1-2H3,(H3,9,10)
InChIKeyBJHRTDLXPSVFGC-UHFFFAOYSA-N
XLogP-0.32
TPSA108.07 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 5-0.32
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-(cyclopropylsulfamoylamino)-N'-hydroxy-2-methylbutanimidamide
CID 104978341
2-(cyclopentylsulfonylamino)-2-methylbutanimidamide
CID 105361960
2-methyl-2-(methylsulfonylmethylsulfonylamino)butanimidamide
CID 82842401
2-(cyclopropylsulfamoylamino)-2-methylpropanethioamide
CID 114808113
2-ethyl-2-(ethylsulfamoylamino)butanimidamide
CID 114813315
2-[4-(cyclopropylsulfamoyl)piperazin-1-yl]-2-methylpropanimidamide
CID 114813234
2-methyl-2-(naphthalen-1-ylsulfonylamino)butanimidamide
CID 114795769
2-(ethylsulfamoylamino)-2-methylpropanimidamide
CID 114813182
1-N-(cyclopropylsulfamoyl)-2-ethylbutane-1,2-diamine
CID 114811238
2-methyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]butanamide
CID 112738058
3-(ethylsulfamoylamino)-2,2-dimethylpropanimidamide
CID 114813617
3-(cyclopropylsulfamoylamino)-2,2-dimethylpropanoic acid
CID 114533437

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylsulfamoylamino)-2-methylbutanimidamide?
The IUPAC name of 2-(cyclopropylsulfamoylamino)-2-methylbutanimidamide (CID 114813404) is 2-(cyclopropylsulfamoylamino)-2-methylbutanimidamide.
What is the SMILES notation for 2-(cyclopropylsulfamoylamino)-2-methylbutanimidamide?
The canonical SMILES for 2-(cyclopropylsulfamoylamino)-2-methylbutanimidamide is [H]/N=C(\N)C(C)(CC)NS(=O)(=O)NC1CC1.
What is the InChIKey of 2-(cyclopropylsulfamoylamino)-2-methylbutanimidamide?
The InChIKey is BJHRTDLXPSVFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4O2S/c1-3-8(2,7(9)10)12-15(13,14)11-6-4-5-6/h6,11-12H,3-5H2,1-2H3,(H3,9,10).
What are the key properties of 2-(cyclopropylsulfamoylamino)-2-methylbutanimidamide?
2-(cyclopropylsulfamoylamino)-2-methylbutanimidamide has a molecular weight of 234.32 g/mol, XLogP of -0.32, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylsulfamoylamino)-2-methylbutanimidamide is sourced from PubChem (CID 114813404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).