N'-hydroxy-2-(3-methylbutylsulfonylamino)cyclopentane-1-carboximidamide

C11H23N3O3S — CID 77008647

IUPACN'-hydroxy-2-(3-methylbutylsulfonylamino)cyclopentane-1-carboximidamide
SMILESCC(C)CCS(=O)(=O)NC1CCCC1C(N)=NO
InChIInChI=1S/C11H23N3O3S/c1-8(2)6-7-18(16,17)14-10-5-3-4-9(10)11(12)13-15/h8-10,14-15H,3-7H2,1-2H3,(H2,12,13)
InChIKeyLALHXCFKCWRCFQ-UHFFFAOYSA-N
MW277.39 g/mol
LogP0.87
Rot. Bonds6

About N'-hydroxy-2-(3-methylbutylsulfonylamino)cyclopentane-1-carboximidamide

N'-hydroxy-2-(3-methylbutylsulfonylamino)cyclopentane-1-carboximidamide (PubChem CID 77008647) has the molecular formula C11H23N3O3S and a molecular weight of 277.39 g/mol. Its IUPAC name is N'-hydroxy-2-(3-methylbutylsulfonylamino)cyclopentane-1-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(3-methylbutylsulfonylamino)cyclopentane-1-carboximidamide
PubChem CID77008647
Molecular FormulaC11H23N3O3S
Molecular Weight277.39 g/mol
Exact Mass277.15
IUPAC NameN'-hydroxy-2-(3-methylbutylsulfonylamino)cyclopentane-1-carboximidamide
SMILESCC(C)CCS(=O)(=O)NC1CCCC1C(N)=NO
InChIInChI=1S/C11H23N3O3S/c1-8(2)6-7-18(16,17)14-10-5-3-4-9(10)11(12)13-15/h8-10,14-15H,3-7H2,1-2H3,(H2,12,13)
InChIKeyLALHXCFKCWRCFQ-UHFFFAOYSA-N
XLogP0.87
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 50.87
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 N'-hydroxy-2-(3-methylbutylsulfonylamino)cyclopentane-1-carboximidamide?
The IUPAC name of N'-hydroxy-2-(3-methylbutylsulfonylamino)cyclopentane-1-carboximidamide (CID 77008647) is N'-hydroxy-2-(3-methylbutylsulfonylamino)cyclopentane-1-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-(3-methylbutylsulfonylamino)cyclopentane-1-carboximidamide?
The canonical SMILES for N'-hydroxy-2-(3-methylbutylsulfonylamino)cyclopentane-1-carboximidamide is CC(C)CCS(=O)(=O)NC1CCCC1C(N)=NO.
What is the InChIKey of N'-hydroxy-2-(3-methylbutylsulfonylamino)cyclopentane-1-carboximidamide?
The InChIKey is LALHXCFKCWRCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3S/c1-8(2)6-7-18(16,17)14-10-5-3-4-9(10)11(12)13-15/h8-10,14-15H,3-7H2,1-2H3,(H2,12,13).
What are the key properties of N'-hydroxy-2-(3-methylbutylsulfonylamino)cyclopentane-1-carboximidamide?
N'-hydroxy-2-(3-methylbutylsulfonylamino)cyclopentane-1-carboximidamide has a molecular weight of 277.39 g/mol, XLogP of 0.87, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(3-methylbutylsulfonylamino)cyclopentane-1-carboximidamide is sourced from PubChem (CID 77008647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).