N'-hydroxy-1-(methylsulfamoylamino)cycloheptane-1-carboximidamide

C9H20N4O3S — CID 104978336

IUPACN'-hydroxy-1-(methylsulfamoylamino)cycloheptane-1-carboximidamide
SMILESCNS(=O)(=O)NC1(C(N)=NO)CCCCCC1
InChIInChI=1S/C9H20N4O3S/c1-11-17(15,16)13-9(8(10)12-14)6-4-2-3-5-7-9/h11,13-14H,2-7H2,1H3,(H2,10,12)
InChIKeyIISDYUPAHURLGE-UHFFFAOYSA-N
MW264.35 g/mol
LogP-0.12
Rot. Bonds4

About N'-hydroxy-1-(methylsulfamoylamino)cycloheptane-1-carboximidamide

N'-hydroxy-1-(methylsulfamoylamino)cycloheptane-1-carboximidamide (PubChem CID 104978336) has the molecular formula C9H20N4O3S and a molecular weight of 264.35 g/mol. Its IUPAC name is N'-hydroxy-1-(methylsulfamoylamino)cycloheptane-1-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-(methylsulfamoylamino)cycloheptane-1-carboximidamide
PubChem CID104978336
Molecular FormulaC9H20N4O3S
Molecular Weight264.35 g/mol
Exact Mass264.13
IUPAC NameN'-hydroxy-1-(methylsulfamoylamino)cycloheptane-1-carboximidamide
SMILESCNS(=O)(=O)NC1(C(N)=NO)CCCCCC1
InChIInChI=1S/C9H20N4O3S/c1-11-17(15,16)13-9(8(10)12-14)6-4-2-3-5-7-9/h11,13-14H,2-7H2,1H3,(H2,10,12)
InChIKeyIISDYUPAHURLGE-UHFFFAOYSA-N
XLogP-0.12
TPSA116.81 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 5-0.12
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-1-(methylsulfamoylamino)cycloheptane-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

N'-hydroxy-1-methyl-4-(methylsulfamoylamino)piperidine-4-carboximidamide
CID 104978294
1-(ethylsulfamoylamino)-N'-hydroxycyclopentane-1-carboximidamide
CID 104978316
1-(methylsulfamoylamino)cyclohexane-1-carbothioamide
CID 114808143
ethyl N-[[1-(N'-hydroxycarbamimidoyl)cycloheptyl]sulfamoyl]carbamate
CID 104929323
1-(cyclopropylmethylsulfonylamino)-N'-hydroxycyclooctane-1-carboximidamide
CID 77052442
N'-hydroxy-1-[(2-methylphenyl)sulfonylamino]cyclohexane-1-carboximidamide
CID 77077380
N'-hydroxy-1-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]cyclohexane-1-carboximidamide
CID 77021110
N'-hydroxy-1-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]cycloheptane-1-carboximidamide
CID 77021112
N'-hydroxy-4-methyl-1-(sulfamoylamino)cyclohexane-1-carboximidamide
CID 104985759
ethyl N-[[1-(N'-hydroxycarbamimidoyl)-4-methylcyclohexyl]sulfamoyl]carbamate
CID 104929320
1-(aminomethyl)-N-(methylsulfamoyl)cycloheptan-1-amine
CID 114803362
1-(ethylsulfamoylamino)cycloheptane-1-carbothioamide
CID 114808160

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1-(methylsulfamoylamino)cycloheptane-1-carboximidamide?
The IUPAC name of N'-hydroxy-1-(methylsulfamoylamino)cycloheptane-1-carboximidamide (CID 104978336) is N'-hydroxy-1-(methylsulfamoylamino)cycloheptane-1-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-(methylsulfamoylamino)cycloheptane-1-carboximidamide?
The canonical SMILES for N'-hydroxy-1-(methylsulfamoylamino)cycloheptane-1-carboximidamide is CNS(=O)(=O)NC1(C(N)=NO)CCCCCC1.
What is the InChIKey of N'-hydroxy-1-(methylsulfamoylamino)cycloheptane-1-carboximidamide?
The InChIKey is IISDYUPAHURLGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4O3S/c1-11-17(15,16)13-9(8(10)12-14)6-4-2-3-5-7-9/h11,13-14H,2-7H2,1H3,(H2,10,12).
What are the key properties of N'-hydroxy-1-(methylsulfamoylamino)cycloheptane-1-carboximidamide?
N'-hydroxy-1-(methylsulfamoylamino)cycloheptane-1-carboximidamide has a molecular weight of 264.35 g/mol, XLogP of -0.12, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-(methylsulfamoylamino)cycloheptane-1-carboximidamide is sourced from PubChem (CID 104978336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).