N'-hydroxy-4-methyl-1-(sulfamoylamino)cyclohexane-1-carboximidamide

C8H18N4O3S — CID 104985759

IUPACN'-hydroxy-4-methyl-1-(sulfamoylamino)cyclohexane-1-carboximidamide
SMILESCC1CCC(NS(N)(=O)=O)(C(N)=NO)CC1
InChIInChI=1S/C8H18N4O3S/c1-6-2-4-8(5-3-6,7(9)11-13)12-16(10,14)15/h6,12-13H,2-5H2,1H3,(H2,9,11)(H2,10,14,15)
InChIKeySRNPTRWQDJFIDX-UHFFFAOYSA-N
MW250.32 g/mol
LogP-0.53
Rot. Bonds3

About N'-hydroxy-4-methyl-1-(sulfamoylamino)cyclohexane-1-carboximidamide

N'-hydroxy-4-methyl-1-(sulfamoylamino)cyclohexane-1-carboximidamide (PubChem CID 104985759) has the molecular formula C8H18N4O3S and a molecular weight of 250.32 g/mol. Its IUPAC name is N'-hydroxy-4-methyl-1-(sulfamoylamino)cyclohexane-1-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-methyl-1-(sulfamoylamino)cyclohexane-1-carboximidamide
PubChem CID104985759
Molecular FormulaC8H18N4O3S
Molecular Weight250.32 g/mol
Exact Mass250.11
IUPAC NameN'-hydroxy-4-methyl-1-(sulfamoylamino)cyclohexane-1-carboximidamide
SMILESCC1CCC(NS(N)(=O)=O)(C(N)=NO)CC1
InChIInChI=1S/C8H18N4O3S/c1-6-2-4-8(5-3-6,7(9)11-13)12-16(10,14)15/h6,12-13H,2-5H2,1H3,(H2,9,11)(H2,10,14,15)
InChIKeySRNPTRWQDJFIDX-UHFFFAOYSA-N
XLogP-0.53
TPSA130.80 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 5-0.53
H-Bond Donors ≤ 54
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'}

Analyze N'-hydroxy-4-methyl-1-(sulfamoylamino)cyclohexane-1-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-1-(sulfamoylamino)cyclohexane-1-carbothioamide
CID 114959147
ethyl N-[[1-(N'-hydroxycarbamimidoyl)-4-methylcyclohexyl]sulfamoyl]carbamate
CID 104929320
N-[1-[(Z)-N'-hydroxycarbamimidoyl]-4-methylcyclohexyl]butanamide
CID 61132988
tert-butyl N-[1-(N'-hydroxycarbamimidoyl)-4-methylcyclohexyl]carbamate
CID 76898062
N-[1-(N'-hydroxycarbamimidoyl)-4-methylcyclohexyl]-2,2-dimethylcyclopentane-1-carboxamide
CID 107182737
N'-hydroxy-1-(methylsulfamoylamino)cycloheptane-1-carboximidamide
CID 104978336
1-(cyclopropylmethylsulfonylamino)-N'-hydroxycyclooctane-1-carboximidamide
CID 77052442
1-(ethylsulfonylamino)-4-methylcyclohexane-1-carbothioamide
CID 61122472
4-ethyl-N'-hydroxy-1-(2-methoxyethylsulfonylamino)cyclohexane-1-carboximidamide
CID 76912725
1-(ethylsulfamoylamino)-N'-hydroxycyclopentane-1-carboximidamide
CID 104978316
N'-hydroxy-1-methyl-4-(methylsulfamoylamino)piperidine-4-carboximidamide
CID 104978294
N-[1-(N'-hydroxycarbamimidoyl)-4-methylcyclohexyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 77113501

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-methyl-1-(sulfamoylamino)cyclohexane-1-carboximidamide?
The IUPAC name of N'-hydroxy-4-methyl-1-(sulfamoylamino)cyclohexane-1-carboximidamide (CID 104985759) is N'-hydroxy-4-methyl-1-(sulfamoylamino)cyclohexane-1-carboximidamide.
What is the SMILES notation for N'-hydroxy-4-methyl-1-(sulfamoylamino)cyclohexane-1-carboximidamide?
The canonical SMILES for N'-hydroxy-4-methyl-1-(sulfamoylamino)cyclohexane-1-carboximidamide is CC1CCC(NS(N)(=O)=O)(C(N)=NO)CC1.
What is the InChIKey of N'-hydroxy-4-methyl-1-(sulfamoylamino)cyclohexane-1-carboximidamide?
The InChIKey is SRNPTRWQDJFIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4O3S/c1-6-2-4-8(5-3-6,7(9)11-13)12-16(10,14)15/h6,12-13H,2-5H2,1H3,(H2,9,11)(H2,10,14,15).
What are the key properties of N'-hydroxy-4-methyl-1-(sulfamoylamino)cyclohexane-1-carboximidamide?
N'-hydroxy-4-methyl-1-(sulfamoylamino)cyclohexane-1-carboximidamide has a molecular weight of 250.32 g/mol, XLogP of -0.53, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-methyl-1-(sulfamoylamino)cyclohexane-1-carboximidamide is sourced from PubChem (CID 104985759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).