3-(cyclopropylsulfamoylamino)butanimidamide

C7H16N4O2S — CID 114813149

IUPAC3-(cyclopropylsulfamoylamino)butanimidamide
SMILES[H]/N=C(\N)CC(C)NS(=O)(=O)NC1CC1
InChIInChI=1S/C7H16N4O2S/c1-5(4-7(8)9)10-14(12,13)11-6-2-3-6/h5-6,10-11H,2-4H2,1H3,(H3,8,9)
InChIKeyLZBATSGCAGRLPW-UHFFFAOYSA-N
MW220.30 g/mol
LogP-0.71
Rot. Bonds6

About 3-(cyclopropylsulfamoylamino)butanimidamide

3-(cyclopropylsulfamoylamino)butanimidamide (PubChem CID 114813149) has the molecular formula C7H16N4O2S and a molecular weight of 220.30 g/mol. Its IUPAC name is 3-(cyclopropylsulfamoylamino)butanimidamide.

Molecular Properties

Compound Name3-(cyclopropylsulfamoylamino)butanimidamide
PubChem CID114813149
Molecular FormulaC7H16N4O2S
Molecular Weight220.30 g/mol
Exact Mass220.10
IUPAC Name3-(cyclopropylsulfamoylamino)butanimidamide
SMILES[H]/N=C(\N)CC(C)NS(=O)(=O)NC1CC1
InChIInChI=1S/C7H16N4O2S/c1-5(4-7(8)9)10-14(12,13)11-6-2-3-6/h5-6,10-11H,2-4H2,1H3,(H3,8,9)
InChIKeyLZBATSGCAGRLPW-UHFFFAOYSA-N
XLogP-0.71
TPSA108.07 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 5-0.71
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

3-(Dimethylsulfamoylamino)butanimidamide
CID 64406030
4-[[Methyl(propan-2-yl)sulfamoyl]amino]butanimidamide
CID 64406131
2-(Dimethylsulfamoylamino)butanimidamide
CID 64406348
3-[[Methyl(propan-2-yl)sulfamoyl]amino]propanimidamide
CID 64406691
3-[[Methyl(propan-2-yl)sulfamoyl]amino]butanimidamide
CID 64407081
3-(Dimethylsulfamoylamino)pentanimidamide
CID 64408474
3-(Diethylsulfamoylamino)butanimidamide
CID 64408533
3-[Dimethylsulfamoyl(methyl)amino]butanimidamide
CID 64408735
2-(cyclopropylsulfamoylamino)-N'-hydroxybutanimidamide
CID 104978269
3-(cyclopropylsulfamoylamino)-N'-hydroxybutanimidamide
CID 104978408
N'-hydroxy-3-(propylsulfamoylamino)butanimidamide
CID 104978411
3-(ethylsulfamoylamino)-N'-hydroxybutanimidamide
CID 104978413

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylsulfamoylamino)butanimidamide?
The IUPAC name of 3-(cyclopropylsulfamoylamino)butanimidamide (CID 114813149) is 3-(cyclopropylsulfamoylamino)butanimidamide.
What is the SMILES notation for 3-(cyclopropylsulfamoylamino)butanimidamide?
The canonical SMILES for 3-(cyclopropylsulfamoylamino)butanimidamide is [H]/N=C(\N)CC(C)NS(=O)(=O)NC1CC1.
What is the InChIKey of 3-(cyclopropylsulfamoylamino)butanimidamide?
The InChIKey is LZBATSGCAGRLPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N4O2S/c1-5(4-7(8)9)10-14(12,13)11-6-2-3-6/h5-6,10-11H,2-4H2,1H3,(H3,8,9).
What are the key properties of 3-(cyclopropylsulfamoylamino)butanimidamide?
3-(cyclopropylsulfamoylamino)butanimidamide has a molecular weight of 220.30 g/mol, XLogP of -0.71, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylsulfamoylamino)butanimidamide is sourced from PubChem (CID 114813149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).