1-(tert-butylsulfonylamino)-N'-hydroxycyclohexane-1-carboximidamide

C11H23N3O3S — CID 55233416

IUPAC1-(tert-butylsulfonylamino)-N'-hydroxycyclohexane-1-carboximidamide
SMILESCC(C)(C)S(=O)(=O)NC1(/C(N)=N/O)CCCCC1
InChIInChI=1S/C11H23N3O3S/c1-10(2,3)18(16,17)14-11(9(12)13-15)7-5-4-6-8-11/h14-15H,4-8H2,1-3H3,(H2,12,13)
InChIKeyRMUBADZOZYFAKW-UHFFFAOYSA-N
MW277.39 g/mol
LogP1.15
Rot. Bonds3

About 1-(tert-butylsulfonylamino)-N'-hydroxycyclohexane-1-carboximidamide

1-(tert-butylsulfonylamino)-N'-hydroxycyclohexane-1-carboximidamide (PubChem CID 55233416) has the molecular formula C11H23N3O3S and a molecular weight of 277.39 g/mol. Its IUPAC name is 1-(tert-butylsulfonylamino)-N'-hydroxycyclohexane-1-carboximidamide.

Molecular Properties

Compound Name1-(tert-butylsulfonylamino)-N'-hydroxycyclohexane-1-carboximidamide
PubChem CID55233416
Molecular FormulaC11H23N3O3S
Molecular Weight277.39 g/mol
Exact Mass277.15
IUPAC Name1-(tert-butylsulfonylamino)-N'-hydroxycyclohexane-1-carboximidamide
SMILESCC(C)(C)S(=O)(=O)NC1(/C(N)=N/O)CCCCC1
InChIInChI=1S/C11H23N3O3S/c1-10(2,3)18(16,17)14-11(9(12)13-15)7-5-4-6-8-11/h14-15H,4-8H2,1-3H3,(H2,12,13)
InChIKeyRMUBADZOZYFAKW-UHFFFAOYSA-N
XLogP1.15
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 51.15
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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Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylsulfonylamino)-N'-hydroxycyclohexane-1-carboximidamide?
The IUPAC name of 1-(tert-butylsulfonylamino)-N'-hydroxycyclohexane-1-carboximidamide (CID 55233416) is 1-(tert-butylsulfonylamino)-N'-hydroxycyclohexane-1-carboximidamide.
What is the SMILES notation for 1-(tert-butylsulfonylamino)-N'-hydroxycyclohexane-1-carboximidamide?
The canonical SMILES for 1-(tert-butylsulfonylamino)-N'-hydroxycyclohexane-1-carboximidamide is CC(C)(C)S(=O)(=O)NC1(/C(N)=N/O)CCCCC1.
What is the InChIKey of 1-(tert-butylsulfonylamino)-N'-hydroxycyclohexane-1-carboximidamide?
The InChIKey is RMUBADZOZYFAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3S/c1-10(2,3)18(16,17)14-11(9(12)13-15)7-5-4-6-8-11/h14-15H,4-8H2,1-3H3,(H2,12,13).
What are the key properties of 1-(tert-butylsulfonylamino)-N'-hydroxycyclohexane-1-carboximidamide?
1-(tert-butylsulfonylamino)-N'-hydroxycyclohexane-1-carboximidamide has a molecular weight of 277.39 g/mol, XLogP of 1.15, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylsulfonylamino)-N'-hydroxycyclohexane-1-carboximidamide is sourced from PubChem (CID 55233416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).