2-(tert-butylsulfamoylamino)-2-cyclohexyl-N'-hydroxyethanimidamide

C12H26N4O3S — CID 104978257

IUPAC2-(tert-butylsulfamoylamino)-2-cyclohexyl-N'-hydroxyethanimidamide
SMILESCC(C)(C)NS(=O)(=O)NC(C(N)=NO)C1CCCCC1
InChIInChI=1S/C12H26N4O3S/c1-12(2,3)16-20(18,19)15-10(11(13)14-17)9-7-5-4-6-8-9/h9-10,15-17H,4-8H2,1-3H3,(H2,13,14)
InChIKeyCXOWSKQQZPZORN-UHFFFAOYSA-N
MW306.43 g/mol
LogP0.90
Rot. Bonds5

About 2-(tert-butylsulfamoylamino)-2-cyclohexyl-N'-hydroxyethanimidamide

2-(tert-butylsulfamoylamino)-2-cyclohexyl-N'-hydroxyethanimidamide (PubChem CID 104978257) has the molecular formula C12H26N4O3S and a molecular weight of 306.43 g/mol. Its IUPAC name is 2-(tert-butylsulfamoylamino)-2-cyclohexyl-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-(tert-butylsulfamoylamino)-2-cyclohexyl-N'-hydroxyethanimidamide
PubChem CID104978257
Molecular FormulaC12H26N4O3S
Molecular Weight306.43 g/mol
Exact Mass306.17
IUPAC Name2-(tert-butylsulfamoylamino)-2-cyclohexyl-N'-hydroxyethanimidamide
SMILESCC(C)(C)NS(=O)(=O)NC(C(N)=NO)C1CCCCC1
InChIInChI=1S/C12H26N4O3S/c1-12(2,3)16-20(18,19)15-10(11(13)14-17)9-7-5-4-6-8-9/h9-10,15-17H,4-8H2,1-3H3,(H2,13,14)
InChIKeyCXOWSKQQZPZORN-UHFFFAOYSA-N
XLogP0.90
TPSA116.81 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 50.90
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-cyclohexyl-N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide
CID 104978259
N'-hydroxy-4-methyl-1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carboximidamide
CID 104978326
3-Cyclohexyl-1,1-dioxo-2,3-dihydro-1,2,5-thiadiazol-4-amine
CID 17550298
2-(tert-butylsulfonylamino)-2-cyclohexyl-N'-hydroxyethanimidamide
CID 55233415
N'-hydroxy-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane-1-carboximidamide
CID 61453719
2-Cyclohexyl-2-(dimethylsulfamoylamino)ethanimidamide
CID 64405702
2-Cyclohexyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]ethanimidamide
CID 64406330
2-Cyclohexyl-2-(diethylsulfamoylamino)ethanimidamide
CID 64408207
2-amino-2-cyclohexyl-N'-hydroxyethanimidamide
CID 64981651
2-(tert-butylsulfonylamino)-2-cyclohexyl-N'-hydroxyethanimidamide
CID 76217808
2-cyclohexyl-N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]ethanimidamide
CID 76904454
N'-hydroxy-4-methyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane-1-carboximidamide
CID 76904458

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylsulfamoylamino)-2-cyclohexyl-N'-hydroxyethanimidamide?
The IUPAC name of 2-(tert-butylsulfamoylamino)-2-cyclohexyl-N'-hydroxyethanimidamide (CID 104978257) is 2-(tert-butylsulfamoylamino)-2-cyclohexyl-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-(tert-butylsulfamoylamino)-2-cyclohexyl-N'-hydroxyethanimidamide?
The canonical SMILES for 2-(tert-butylsulfamoylamino)-2-cyclohexyl-N'-hydroxyethanimidamide is CC(C)(C)NS(=O)(=O)NC(C(N)=NO)C1CCCCC1.
What is the InChIKey of 2-(tert-butylsulfamoylamino)-2-cyclohexyl-N'-hydroxyethanimidamide?
The InChIKey is CXOWSKQQZPZORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O3S/c1-12(2,3)16-20(18,19)15-10(11(13)14-17)9-7-5-4-6-8-9/h9-10,15-17H,4-8H2,1-3H3,(H2,13,14).
What are the key properties of 2-(tert-butylsulfamoylamino)-2-cyclohexyl-N'-hydroxyethanimidamide?
2-(tert-butylsulfamoylamino)-2-cyclohexyl-N'-hydroxyethanimidamide has a molecular weight of 306.43 g/mol, XLogP of 0.90, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylsulfamoylamino)-2-cyclohexyl-N'-hydroxyethanimidamide is sourced from PubChem (CID 104978257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).