2-cyclopropyl-2-(cyclopropylsulfamoylamino)-N'-hydroxyethanimidamide

C8H16N4O3S — CID 104978522

IUPAC2-cyclopropyl-2-(cyclopropylsulfamoylamino)-N'-hydroxyethanimidamide
SMILESNC(=NO)C(NS(=O)(=O)NC1CC1)C1CC1
InChIInChI=1S/C8H16N4O3S/c9-8(10-13)7(5-1-2-5)12-16(14,15)11-6-3-4-6/h5-7,11-13H,1-4H2,(H2,9,10)
InChIKeyAUXDNDAZXKOKET-UHFFFAOYSA-N
MW248.31 g/mol
LogP-0.90
Rot. Bonds6

About 2-cyclopropyl-2-(cyclopropylsulfamoylamino)-N'-hydroxyethanimidamide

2-cyclopropyl-2-(cyclopropylsulfamoylamino)-N'-hydroxyethanimidamide (PubChem CID 104978522) has the molecular formula C8H16N4O3S and a molecular weight of 248.31 g/mol. Its IUPAC name is 2-cyclopropyl-2-(cyclopropylsulfamoylamino)-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-cyclopropyl-2-(cyclopropylsulfamoylamino)-N'-hydroxyethanimidamide
PubChem CID104978522
Molecular FormulaC8H16N4O3S
Molecular Weight248.31 g/mol
Exact Mass248.09
IUPAC Name2-cyclopropyl-2-(cyclopropylsulfamoylamino)-N'-hydroxyethanimidamide
SMILESNC(=NO)C(NS(=O)(=O)NC1CC1)C1CC1
InChIInChI=1S/C8H16N4O3S/c9-8(10-13)7(5-1-2-5)12-16(14,15)11-6-3-4-6/h5-7,11-13H,1-4H2,(H2,9,10)
InChIKeyAUXDNDAZXKOKET-UHFFFAOYSA-N
XLogP-0.90
TPSA116.81 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 5-0.90
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'}

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Related Compounds

2-cyclopropyl-N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide
CID 104978525
2-cyclopropyl-2-(diethylsulfamoylamino)-N'-hydroxyethanimidamide
CID 77038893
2-cyclopropyl-N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]ethanimidamide
CID 77038973
2-cyclopropyl-2-(dimethylsulfamoylamino)-N'-hydroxyethanimidamide
CID 77038979
2-cyclopropyl-2-(cyclopropylmethylsulfonylamino)-N'-hydroxyethanimidamide
CID 77052437
2-(cyclopropylsulfamoylamino)-N'-hydroxypentanimidamide
CID 104978275
2-(cyclopropylsulfamoylamino)-N'-hydroxy-3-methylbutanimidamide
CID 104978515
N'-hydroxy-3-methyl-2-(propylsulfamoylamino)butanimidamide
CID 104978518
N'-hydroxy-3-methyl-2-(propan-2-ylsulfamoylamino)butanimidamide
CID 104978521
2-cyclopropyl-N'-hydroxy-2-(methylsulfamoylamino)ethanimidamide
CID 104978523
2-cyclopropyl-N'-hydroxy-2-(propylsulfamoylamino)ethanimidamide
CID 104978524
2-cyclopropyl-2-(ethylsulfamoylamino)-N'-hydroxyethanimidamide
CID 104978526

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(cyclopropylsulfamoylamino)-N'-hydroxyethanimidamide?
The IUPAC name of 2-cyclopropyl-2-(cyclopropylsulfamoylamino)-N'-hydroxyethanimidamide (CID 104978522) is 2-cyclopropyl-2-(cyclopropylsulfamoylamino)-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-cyclopropyl-2-(cyclopropylsulfamoylamino)-N'-hydroxyethanimidamide?
The canonical SMILES for 2-cyclopropyl-2-(cyclopropylsulfamoylamino)-N'-hydroxyethanimidamide is NC(=NO)C(NS(=O)(=O)NC1CC1)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(cyclopropylsulfamoylamino)-N'-hydroxyethanimidamide?
The InChIKey is AUXDNDAZXKOKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O3S/c9-8(10-13)7(5-1-2-5)12-16(14,15)11-6-3-4-6/h5-7,11-13H,1-4H2,(H2,9,10).
What are the key properties of 2-cyclopropyl-2-(cyclopropylsulfamoylamino)-N'-hydroxyethanimidamide?
2-cyclopropyl-2-(cyclopropylsulfamoylamino)-N'-hydroxyethanimidamide has a molecular weight of 248.31 g/mol, XLogP of -0.90, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(cyclopropylsulfamoylamino)-N'-hydroxyethanimidamide is sourced from PubChem (CID 104978522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).