2-(cyclopropylsulfamoylamino)-N'-hydroxy-3-methylbutanimidamide

C8H18N4O3S — CID 104978515

IUPAC2-(cyclopropylsulfamoylamino)-N'-hydroxy-3-methylbutanimidamide
SMILESCC(C)C(NS(=O)(=O)NC1CC1)C(N)=NO
InChIInChI=1S/C8H18N4O3S/c1-5(2)7(8(9)10-13)12-16(14,15)11-6-3-4-6/h5-7,11-13H,3-4H2,1-2H3,(H2,9,10)
InChIKeyHYQIHKXMCZZJSD-UHFFFAOYSA-N
MW250.32 g/mol
LogP-0.66
Rot. Bonds6

About 2-(cyclopropylsulfamoylamino)-N'-hydroxy-3-methylbutanimidamide

2-(cyclopropylsulfamoylamino)-N'-hydroxy-3-methylbutanimidamide (PubChem CID 104978515) has the molecular formula C8H18N4O3S and a molecular weight of 250.32 g/mol. Its IUPAC name is 2-(cyclopropylsulfamoylamino)-N'-hydroxy-3-methylbutanimidamide.

Molecular Properties

Compound Name2-(cyclopropylsulfamoylamino)-N'-hydroxy-3-methylbutanimidamide
PubChem CID104978515
Molecular FormulaC8H18N4O3S
Molecular Weight250.32 g/mol
Exact Mass250.11
IUPAC Name2-(cyclopropylsulfamoylamino)-N'-hydroxy-3-methylbutanimidamide
SMILESCC(C)C(NS(=O)(=O)NC1CC1)C(N)=NO
InChIInChI=1S/C8H18N4O3S/c1-5(2)7(8(9)10-13)12-16(14,15)11-6-3-4-6/h5-7,11-13H,3-4H2,1-2H3,(H2,9,10)
InChIKeyHYQIHKXMCZZJSD-UHFFFAOYSA-N
XLogP-0.66
TPSA116.81 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 5-0.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 2-(cyclopropylsulfamoylamino)-N'-hydroxy-3-methylbutanimidamide 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 2-(cyclopropylsulfamoylamino)-N'-hydroxy-3-methylbutanimidamide?
The IUPAC name of 2-(cyclopropylsulfamoylamino)-N'-hydroxy-3-methylbutanimidamide (CID 104978515) is 2-(cyclopropylsulfamoylamino)-N'-hydroxy-3-methylbutanimidamide.
What is the SMILES notation for 2-(cyclopropylsulfamoylamino)-N'-hydroxy-3-methylbutanimidamide?
The canonical SMILES for 2-(cyclopropylsulfamoylamino)-N'-hydroxy-3-methylbutanimidamide is CC(C)C(NS(=O)(=O)NC1CC1)C(N)=NO.
What is the InChIKey of 2-(cyclopropylsulfamoylamino)-N'-hydroxy-3-methylbutanimidamide?
The InChIKey is HYQIHKXMCZZJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4O3S/c1-5(2)7(8(9)10-13)12-16(14,15)11-6-3-4-6/h5-7,11-13H,3-4H2,1-2H3,(H2,9,10).
What are the key properties of 2-(cyclopropylsulfamoylamino)-N'-hydroxy-3-methylbutanimidamide?
2-(cyclopropylsulfamoylamino)-N'-hydroxy-3-methylbutanimidamide has a molecular weight of 250.32 g/mol, XLogP of -0.66, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylsulfamoylamino)-N'-hydroxy-3-methylbutanimidamide is sourced from PubChem (CID 104978515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).