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

C12H25N3O3S — CID 55233415

IUPAC2-(tert-butylsulfonylamino)-2-cyclohexyl-N'-hydroxyethanimidamide
SMILESCC(C)(C)S(=O)(=O)NC(/C(N)=N/O)C1CCCCC1
InChIInChI=1S/C12H25N3O3S/c1-12(2,3)19(17,18)15-10(11(13)14-16)9-7-5-4-6-8-9/h9-10,15-16H,4-8H2,1-3H3,(H2,13,14)
InChIKeyMZSFNTWEWWZWFV-UHFFFAOYSA-N
MW291.42 g/mol
LogP1.40
Rot. Bonds4

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

2-(tert-butylsulfonylamino)-2-cyclohexyl-N'-hydroxyethanimidamide (PubChem CID 55233415) has the molecular formula C12H25N3O3S and a molecular weight of 291.42 g/mol. Its IUPAC name is 2-(tert-butylsulfonylamino)-2-cyclohexyl-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-(tert-butylsulfonylamino)-2-cyclohexyl-N'-hydroxyethanimidamide
PubChem CID55233415
Molecular FormulaC12H25N3O3S
Molecular Weight291.42 g/mol
Exact Mass291.16
IUPAC Name2-(tert-butylsulfonylamino)-2-cyclohexyl-N'-hydroxyethanimidamide
SMILESCC(C)(C)S(=O)(=O)NC(/C(N)=N/O)C1CCCCC1
InChIInChI=1S/C12H25N3O3S/c1-12(2,3)19(17,18)15-10(11(13)14-16)9-7-5-4-6-8-9/h9-10,15-16H,4-8H2,1-3H3,(H2,13,14)
InChIKeyMZSFNTWEWWZWFV-UHFFFAOYSA-N
XLogP1.40
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 51.40
H-Bond Donors ≤ 53
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-2-(difluoromethylsulfonylamino)-N'-hydroxyethanimidamide
CID 112495287
2-(cyclohexylmethylsulfonylamino)-N'-hydroxybutanimidamide
CID 54947107
2-(cyclohexylmethylsulfonylamino)-N'-hydroxypropanimidamide
CID 54947895
2-cyclohexyl-N'-hydroxy-2-(2-methoxyethylsulfonylamino)ethanimidamide
CID 55014493
3-(cyclohexylmethylsulfonylamino)-N'-hydroxybutanimidamide
CID 55033284
4-(cyclohexylmethylsulfonylamino)-N'-hydroxybutanimidamide
CID 55102407
1-(tert-butylsulfonylamino)-N'-hydroxycyclohexane-1-carboximidamide
CID 55233416
N'-hydroxy-1-(3-methylbutylsulfonylamino)cyclohexane-1-carboximidamide
CID 55261691
2-(cyclohexylmethylsulfonylamino)-N'-hydroxypentanimidamide
CID 61454516
2-(cyclohexylmethylsulfonylamino)-N'-hydroxyethanimidamide
CID 61454549
3-(Cyclohexylmethylsulfonylamino)pentanimidamide
CID 64405968
2-(Cyclohexylmethylsulfonylamino)butanimidamide
CID 64406145

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylsulfonylamino)-2-cyclohexyl-N'-hydroxyethanimidamide?
The IUPAC name of 2-(tert-butylsulfonylamino)-2-cyclohexyl-N'-hydroxyethanimidamide (CID 55233415) is 2-(tert-butylsulfonylamino)-2-cyclohexyl-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-(tert-butylsulfonylamino)-2-cyclohexyl-N'-hydroxyethanimidamide?
The canonical SMILES for 2-(tert-butylsulfonylamino)-2-cyclohexyl-N'-hydroxyethanimidamide is CC(C)(C)S(=O)(=O)NC(/C(N)=N/O)C1CCCCC1.
What is the InChIKey of 2-(tert-butylsulfonylamino)-2-cyclohexyl-N'-hydroxyethanimidamide?
The InChIKey is MZSFNTWEWWZWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O3S/c1-12(2,3)19(17,18)15-10(11(13)14-16)9-7-5-4-6-8-9/h9-10,15-16H,4-8H2,1-3H3,(H2,13,14).
What are the key properties of 2-(tert-butylsulfonylamino)-2-cyclohexyl-N'-hydroxyethanimidamide?
2-(tert-butylsulfonylamino)-2-cyclohexyl-N'-hydroxyethanimidamide has a molecular weight of 291.42 g/mol, XLogP of 1.40, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylsulfonylamino)-2-cyclohexyl-N'-hydroxyethanimidamide is sourced from PubChem (CID 55233415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).