4-(cyclopropylsulfamoylamino)-N'-hydroxybutanimidamide

C7H16N4O3S — CID 104978415

IUPAC4-(cyclopropylsulfamoylamino)-N'-hydroxybutanimidamide
SMILESNC(CCCNS(=O)(=O)NC1CC1)=NO
InChIInChI=1S/C7H16N4O3S/c8-7(10-12)2-1-5-9-15(13,14)11-6-3-4-6/h6,9,11-12H,1-5H2,(H2,8,10)
InChIKeyBCDFKIJPMSLIPK-UHFFFAOYSA-N
MW236.30 g/mol
LogP-0.90
Rot. Bonds7

About 4-(cyclopropylsulfamoylamino)-N'-hydroxybutanimidamide

4-(cyclopropylsulfamoylamino)-N'-hydroxybutanimidamide (PubChem CID 104978415) has the molecular formula C7H16N4O3S and a molecular weight of 236.30 g/mol. Its IUPAC name is 4-(cyclopropylsulfamoylamino)-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name4-(cyclopropylsulfamoylamino)-N'-hydroxybutanimidamide
PubChem CID104978415
Molecular FormulaC7H16N4O3S
Molecular Weight236.30 g/mol
Exact Mass236.09
IUPAC Name4-(cyclopropylsulfamoylamino)-N'-hydroxybutanimidamide
SMILESNC(CCCNS(=O)(=O)NC1CC1)=NO
InChIInChI=1S/C7H16N4O3S/c8-7(10-12)2-1-5-9-15(13,14)11-6-3-4-6/h6,9,11-12H,1-5H2,(H2,8,10)
InChIKeyBCDFKIJPMSLIPK-UHFFFAOYSA-N
XLogP-0.90
TPSA116.81 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 5-0.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-(cyclopropylsulfamoylamino)-N'-hydroxybutanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylsulfamoylamino)-N'-hydroxybutanimidamide?
The IUPAC name of 4-(cyclopropylsulfamoylamino)-N'-hydroxybutanimidamide (CID 104978415) is 4-(cyclopropylsulfamoylamino)-N'-hydroxybutanimidamide.
What is the SMILES notation for 4-(cyclopropylsulfamoylamino)-N'-hydroxybutanimidamide?
The canonical SMILES for 4-(cyclopropylsulfamoylamino)-N'-hydroxybutanimidamide is NC(CCCNS(=O)(=O)NC1CC1)=NO.
What is the InChIKey of 4-(cyclopropylsulfamoylamino)-N'-hydroxybutanimidamide?
The InChIKey is BCDFKIJPMSLIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N4O3S/c8-7(10-12)2-1-5-9-15(13,14)11-6-3-4-6/h6,9,11-12H,1-5H2,(H2,8,10).
What are the key properties of 4-(cyclopropylsulfamoylamino)-N'-hydroxybutanimidamide?
4-(cyclopropylsulfamoylamino)-N'-hydroxybutanimidamide has a molecular weight of 236.30 g/mol, XLogP of -0.90, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylsulfamoylamino)-N'-hydroxybutanimidamide is sourced from PubChem (CID 104978415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).