1-(cyclopropylmethylsulfonylamino)-N'-hydroxycyclooctane-1-carboximidamide

C13H25N3O3S — CID 77052442

IUPAC1-(cyclopropylmethylsulfonylamino)-N'-hydroxycyclooctane-1-carboximidamide
SMILESNC(=NO)C1(NS(=O)(=O)CC2CC2)CCCCCCC1
InChIInChI=1S/C13H25N3O3S/c14-12(15-17)13(8-4-2-1-3-5-9-13)16-20(18,19)10-11-6-7-11/h11,16-17H,1-10H2,(H2,14,15)
InChIKeyINCTXUWZWIIREB-UHFFFAOYSA-N
MW303.43 g/mol
LogP1.55
Rot. Bonds5

About 1-(cyclopropylmethylsulfonylamino)-N'-hydroxycyclooctane-1-carboximidamide

1-(cyclopropylmethylsulfonylamino)-N'-hydroxycyclooctane-1-carboximidamide (PubChem CID 77052442) has the molecular formula C13H25N3O3S and a molecular weight of 303.43 g/mol. Its IUPAC name is 1-(cyclopropylmethylsulfonylamino)-N'-hydroxycyclooctane-1-carboximidamide.

Molecular Properties

Compound Name1-(cyclopropylmethylsulfonylamino)-N'-hydroxycyclooctane-1-carboximidamide
PubChem CID77052442
Molecular FormulaC13H25N3O3S
Molecular Weight303.43 g/mol
Exact Mass303.16
IUPAC Name1-(cyclopropylmethylsulfonylamino)-N'-hydroxycyclooctane-1-carboximidamide
SMILESNC(=NO)C1(NS(=O)(=O)CC2CC2)CCCCCCC1
InChIInChI=1S/C13H25N3O3S/c14-12(15-17)13(8-4-2-1-3-5-9-13)16-20(18,19)10-11-6-7-11/h11,16-17H,1-10H2,(H2,14,15)
InChIKeyINCTXUWZWIIREB-UHFFFAOYSA-N
XLogP1.55
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 51.55
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

1-(cyclohexylmethylsulfonylamino)cyclohexane-1-carboxylic acid
CID 61454000
N'-hydroxy-1-(methylsulfamoylamino)cycloheptane-1-carboximidamide
CID 104978336
4-ethyl-N'-hydroxy-1-(2-methoxyethylsulfonylamino)cyclohexane-1-carboximidamide
CID 76912725
2-cyclopropyl-N-[1-(N'-hydroxycarbamimidoyl)cycloheptyl]acetamide
CID 76909881
N-[1-(aminomethyl)cyclooctyl]-1-cyclopropylmethanesulfonamide
CID 64989622
1-(ethylsulfamoylamino)-N'-hydroxycyclopentane-1-carboximidamide
CID 104978316
1-(cyclohexylmethylsulfonylamino)-4-methylcyclohexane-1-carbothioamide
CID 61453926
ethyl N-[[1-(N'-hydroxycarbamimidoyl)cycloheptyl]sulfamoyl]carbamate
CID 104929323
N'-hydroxy-4-methyl-1-(sulfamoylamino)cyclohexane-1-carboximidamide
CID 104985759
N-[1-(bromomethyl)cyclopentyl]-1-cyclopropylmethanesulfonamide
CID 114297143
N-(4-ethylcyclohexyl)-1-(N'-hydroxycarbamimidoyl)cyclohexane-1-carboxamide
CID 76921140
1-(cyclopropylmethylsulfonylamino)-4-methylcyclohexane-1-carboxylic acid
CID 64987307

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethylsulfonylamino)-N'-hydroxycyclooctane-1-carboximidamide?
The IUPAC name of 1-(cyclopropylmethylsulfonylamino)-N'-hydroxycyclooctane-1-carboximidamide (CID 77052442) is 1-(cyclopropylmethylsulfonylamino)-N'-hydroxycyclooctane-1-carboximidamide.
What is the SMILES notation for 1-(cyclopropylmethylsulfonylamino)-N'-hydroxycyclooctane-1-carboximidamide?
The canonical SMILES for 1-(cyclopropylmethylsulfonylamino)-N'-hydroxycyclooctane-1-carboximidamide is NC(=NO)C1(NS(=O)(=O)CC2CC2)CCCCCCC1.
What is the InChIKey of 1-(cyclopropylmethylsulfonylamino)-N'-hydroxycyclooctane-1-carboximidamide?
The InChIKey is INCTXUWZWIIREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3S/c14-12(15-17)13(8-4-2-1-3-5-9-13)16-20(18,19)10-11-6-7-11/h11,16-17H,1-10H2,(H2,14,15).
What are the key properties of 1-(cyclopropylmethylsulfonylamino)-N'-hydroxycyclooctane-1-carboximidamide?
1-(cyclopropylmethylsulfonylamino)-N'-hydroxycyclooctane-1-carboximidamide has a molecular weight of 303.43 g/mol, XLogP of 1.55, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethylsulfonylamino)-N'-hydroxycyclooctane-1-carboximidamide is sourced from PubChem (CID 77052442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).