4-ethyl-N'-hydroxy-1-(2-methoxyethylsulfonylamino)cyclohexane-1-carboximidamide

C12H25N3O4S — CID 76912725

IUPAC4-ethyl-N'-hydroxy-1-(2-methoxyethylsulfonylamino)cyclohexane-1-carboximidamide
SMILESCCC1CCC(NS(=O)(=O)CCOC)(C(N)=NO)CC1
InChIInChI=1S/C12H25N3O4S/c1-3-10-4-6-12(7-5-10,11(13)14-16)15-20(17,18)9-8-19-2/h10,15-16H,3-9H2,1-2H3,(H2,13,14)
InChIKeyBGZDHKXCGVDARE-UHFFFAOYSA-N
MW307.42 g/mol
LogP0.64
Rot. Bonds7

About 4-ethyl-N'-hydroxy-1-(2-methoxyethylsulfonylamino)cyclohexane-1-carboximidamide

4-ethyl-N'-hydroxy-1-(2-methoxyethylsulfonylamino)cyclohexane-1-carboximidamide (PubChem CID 76912725) has the molecular formula C12H25N3O4S and a molecular weight of 307.42 g/mol. Its IUPAC name is 4-ethyl-N'-hydroxy-1-(2-methoxyethylsulfonylamino)cyclohexane-1-carboximidamide.

Molecular Properties

Compound Name4-ethyl-N'-hydroxy-1-(2-methoxyethylsulfonylamino)cyclohexane-1-carboximidamide
PubChem CID76912725
Molecular FormulaC12H25N3O4S
Molecular Weight307.42 g/mol
Exact Mass307.16
IUPAC Name4-ethyl-N'-hydroxy-1-(2-methoxyethylsulfonylamino)cyclohexane-1-carboximidamide
SMILESCCC1CCC(NS(=O)(=O)CCOC)(C(N)=NO)CC1
InChIInChI=1S/C12H25N3O4S/c1-3-10-4-6-12(7-5-10,11(13)14-16)15-20(17,18)9-8-19-2/h10,15-16H,3-9H2,1-2H3,(H2,13,14)
InChIKeyBGZDHKXCGVDARE-UHFFFAOYSA-N
XLogP0.64
TPSA114.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-(2-ethoxyethylsulfonylamino)-4-ethylcyclohexane-1-carbothioamide
CID 63245615
1-(cyclopropylmethylsulfonylamino)-N'-hydroxycyclooctane-1-carboximidamide
CID 77052442
N-[4-ethyl-1-(N'-hydroxycarbamimidoyl)cyclohexyl]-2-propan-2-yloxyacetamide
CID 103940438
N'-hydroxy-4-methyl-1-(sulfamoylamino)cyclohexane-1-carboximidamide
CID 104985759
1-(2-methoxyethylsulfonylamino)cyclobutane-1-carboxylic acid
CID 81164087
ethyl N-[[1-(N'-hydroxycarbamimidoyl)-4-methylcyclohexyl]sulfamoyl]carbamate
CID 104929320
N-[4-ethyl-1-(N'-hydroxycarbamimidoyl)cyclohexyl]-2-methyloxolane-3-carboxamide
CID 79755948
4-(2-methoxyethylsulfonylamino)oxane-4-carboxylic acid
CID 115291993
3-bromo-N-[4-ethyl-1-(N'-hydroxycarbamimidoyl)cyclohexyl]thiophene-2-carboxamide
CID 77007083
1-(ethylsulfamoylamino)-N'-hydroxycyclopentane-1-carboximidamide
CID 104978316
N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]-3-methoxypropanamide
CID 76946958
1-(tert-butylsulfamoylamino)-4-ethylcyclohexane-1-carbothioamide
CID 114808157

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N'-hydroxy-1-(2-methoxyethylsulfonylamino)cyclohexane-1-carboximidamide?
The IUPAC name of 4-ethyl-N'-hydroxy-1-(2-methoxyethylsulfonylamino)cyclohexane-1-carboximidamide (CID 76912725) is 4-ethyl-N'-hydroxy-1-(2-methoxyethylsulfonylamino)cyclohexane-1-carboximidamide.
What is the SMILES notation for 4-ethyl-N'-hydroxy-1-(2-methoxyethylsulfonylamino)cyclohexane-1-carboximidamide?
The canonical SMILES for 4-ethyl-N'-hydroxy-1-(2-methoxyethylsulfonylamino)cyclohexane-1-carboximidamide is CCC1CCC(NS(=O)(=O)CCOC)(C(N)=NO)CC1.
What is the InChIKey of 4-ethyl-N'-hydroxy-1-(2-methoxyethylsulfonylamino)cyclohexane-1-carboximidamide?
The InChIKey is BGZDHKXCGVDARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O4S/c1-3-10-4-6-12(7-5-10,11(13)14-16)15-20(17,18)9-8-19-2/h10,15-16H,3-9H2,1-2H3,(H2,13,14).
What are the key properties of 4-ethyl-N'-hydroxy-1-(2-methoxyethylsulfonylamino)cyclohexane-1-carboximidamide?
4-ethyl-N'-hydroxy-1-(2-methoxyethylsulfonylamino)cyclohexane-1-carboximidamide has a molecular weight of 307.42 g/mol, XLogP of 0.64, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N'-hydroxy-1-(2-methoxyethylsulfonylamino)cyclohexane-1-carboximidamide is sourced from PubChem (CID 76912725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).