2-(cyclopropylsulfamoylamino)-2-ethylbutanimidamide

C9H20N4O2S — CID 114813311

IUPAC2-(cyclopropylsulfamoylamino)-2-ethylbutanimidamide
SMILES[H]/N=C(\N)C(CC)(CC)NS(=O)(=O)NC1CC1
InChIInChI=1S/C9H20N4O2S/c1-3-9(4-2,8(10)11)13-16(14,15)12-7-5-6-7/h7,12-13H,3-6H2,1-2H3,(H3,10,11)
InChIKeyNSAONBVOTWTHFB-UHFFFAOYSA-N
MW248.35 g/mol
LogP0.07
Rot. Bonds7

About 2-(cyclopropylsulfamoylamino)-2-ethylbutanimidamide

2-(cyclopropylsulfamoylamino)-2-ethylbutanimidamide (PubChem CID 114813311) has the molecular formula C9H20N4O2S and a molecular weight of 248.35 g/mol. Its IUPAC name is 2-(cyclopropylsulfamoylamino)-2-ethylbutanimidamide.

Molecular Properties

Compound Name2-(cyclopropylsulfamoylamino)-2-ethylbutanimidamide
PubChem CID114813311
Molecular FormulaC9H20N4O2S
Molecular Weight248.35 g/mol
Exact Mass248.13
IUPAC Name2-(cyclopropylsulfamoylamino)-2-ethylbutanimidamide
SMILES[H]/N=C(\N)C(CC)(CC)NS(=O)(=O)NC1CC1
InChIInChI=1S/C9H20N4O2S/c1-3-9(4-2,8(10)11)13-16(14,15)12-7-5-6-7/h7,12-13H,3-6H2,1-2H3,(H3,10,11)
InChIKeyNSAONBVOTWTHFB-UHFFFAOYSA-N
XLogP0.07
TPSA108.07 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 50.07
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-Ethyl-2-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide
CID 114813313
2-Ethyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanimidamide
CID 64406534
2-(Diethylsulfamoylamino)-2-ethylbutanimidamide
CID 64407786
2-Methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanimidamide
CID 64408034
2-(Dimethylsulfamoylamino)-2-ethylbutanimidamide
CID 64408621
2-Cyclopropyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]ethanimidamide
CID 64427201
2-ethyl-2-(ethylsulfamoylamino)-N'-hydroxybutanimidamide
CID 104978285
2-ethyl-N'-hydroxy-2-(propan-2-ylsulfamoylamino)butanimidamide
CID 104978286
2-(cyclopropylsulfamoylamino)-N'-hydroxy-2-methylbutanimidamide
CID 104978341
2-(cyclopropylsulfamoylamino)-2-ethyl-N'-hydroxybutanimidamide
CID 113637606
2-ethyl-N'-hydroxy-2-(propylsulfamoylamino)butanimidamide
CID 113637607
1-(Propan-2-ylsulfamoylamino)cyclopentane-1-carboximidamide
CID 114813161

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylsulfamoylamino)-2-ethylbutanimidamide?
The IUPAC name of 2-(cyclopropylsulfamoylamino)-2-ethylbutanimidamide (CID 114813311) is 2-(cyclopropylsulfamoylamino)-2-ethylbutanimidamide.
What is the SMILES notation for 2-(cyclopropylsulfamoylamino)-2-ethylbutanimidamide?
The canonical SMILES for 2-(cyclopropylsulfamoylamino)-2-ethylbutanimidamide is [H]/N=C(\N)C(CC)(CC)NS(=O)(=O)NC1CC1.
What is the InChIKey of 2-(cyclopropylsulfamoylamino)-2-ethylbutanimidamide?
The InChIKey is NSAONBVOTWTHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4O2S/c1-3-9(4-2,8(10)11)13-16(14,15)12-7-5-6-7/h7,12-13H,3-6H2,1-2H3,(H3,10,11).
What are the key properties of 2-(cyclopropylsulfamoylamino)-2-ethylbutanimidamide?
2-(cyclopropylsulfamoylamino)-2-ethylbutanimidamide has a molecular weight of 248.35 g/mol, XLogP of 0.07, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylsulfamoylamino)-2-ethylbutanimidamide is sourced from PubChem (CID 114813311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).