N'-hydroxy-1-methyl-4-(methylsulfamoylamino)piperidine-4-carboximidamide

C8H19N5O3S — CID 104978294

IUPACN'-hydroxy-1-methyl-4-(methylsulfamoylamino)piperidine-4-carboximidamide
SMILESCNS(=O)(=O)NC1(C(N)=NO)CCN(C)CC1
InChIInChI=1S/C8H19N5O3S/c1-10-17(15,16)12-8(7(9)11-14)3-5-13(2)6-4-8/h10,12,14H,3-6H2,1-2H3,(H2,9,11)
InChIKeyBMDDHSQUWFQDEG-UHFFFAOYSA-N
MW265.34 g/mol
LogP-1.75
Rot. Bonds4

About N'-hydroxy-1-methyl-4-(methylsulfamoylamino)piperidine-4-carboximidamide

N'-hydroxy-1-methyl-4-(methylsulfamoylamino)piperidine-4-carboximidamide (PubChem CID 104978294) has the molecular formula C8H19N5O3S and a molecular weight of 265.34 g/mol. Its IUPAC name is N'-hydroxy-1-methyl-4-(methylsulfamoylamino)piperidine-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-methyl-4-(methylsulfamoylamino)piperidine-4-carboximidamide
PubChem CID104978294
Molecular FormulaC8H19N5O3S
Molecular Weight265.34 g/mol
Exact Mass265.12
IUPAC NameN'-hydroxy-1-methyl-4-(methylsulfamoylamino)piperidine-4-carboximidamide
SMILESCNS(=O)(=O)NC1(C(N)=NO)CCN(C)CC1
InChIInChI=1S/C8H19N5O3S/c1-10-17(15,16)12-8(7(9)11-14)3-5-13(2)6-4-8/h10,12,14H,3-6H2,1-2H3,(H2,9,11)
InChIKeyBMDDHSQUWFQDEG-UHFFFAOYSA-N
XLogP-1.75
TPSA120.05 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 5-1.75
H-Bond Donors ≤ 54
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

N'-hydroxy-1-(methylsulfamoylamino)cycloheptane-1-carboximidamide
CID 104978336
N-[4-[(Z)-N'-hydroxycarbamimidoyl]-1-methylpiperidin-4-yl]acetamide
CID 54593183
1-(ethylsulfamoylamino)-N'-hydroxycyclopentane-1-carboximidamide
CID 104978316
2-cyclobutyl-N-[4-(N'-hydroxycarbamimidoyl)-1-methylpiperidin-4-yl]acetamide
CID 103166098
1-methyl-4-(propylsulfamoylamino)piperidine-4-carbothioamide
CID 114808190
N'-hydroxy-4-methyl-1-(sulfamoylamino)cyclohexane-1-carboximidamide
CID 104985759
ethyl N-[[1-(N'-hydroxycarbamimidoyl)cycloheptyl]sulfamoyl]carbamate
CID 104929323
1-(methylsulfamoylamino)cyclohexane-1-carbothioamide
CID 114808143
4-(tert-butylsulfonylamino)-1-methylpiperidine-4-carbothioamide
CID 63689903
2-chloro-N-[4-[(Z)-N'-hydroxycarbamimidoyl]-1-methylpiperidin-4-yl]furan-3-carboxamide
CID 106689269
ethyl N-[[1-(N'-hydroxycarbamimidoyl)-4-methylcyclohexyl]sulfamoyl]carbamate
CID 104929320
1-[1-methyl-4-(methylamino)piperidin-4-yl]ethanone
CID 121279965

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1-methyl-4-(methylsulfamoylamino)piperidine-4-carboximidamide?
The IUPAC name of N'-hydroxy-1-methyl-4-(methylsulfamoylamino)piperidine-4-carboximidamide (CID 104978294) is N'-hydroxy-1-methyl-4-(methylsulfamoylamino)piperidine-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-methyl-4-(methylsulfamoylamino)piperidine-4-carboximidamide?
The canonical SMILES for N'-hydroxy-1-methyl-4-(methylsulfamoylamino)piperidine-4-carboximidamide is CNS(=O)(=O)NC1(C(N)=NO)CCN(C)CC1.
What is the InChIKey of N'-hydroxy-1-methyl-4-(methylsulfamoylamino)piperidine-4-carboximidamide?
The InChIKey is BMDDHSQUWFQDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N5O3S/c1-10-17(15,16)12-8(7(9)11-14)3-5-13(2)6-4-8/h10,12,14H,3-6H2,1-2H3,(H2,9,11).
What are the key properties of N'-hydroxy-1-methyl-4-(methylsulfamoylamino)piperidine-4-carboximidamide?
N'-hydroxy-1-methyl-4-(methylsulfamoylamino)piperidine-4-carboximidamide has a molecular weight of 265.34 g/mol, XLogP of -1.75, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-methyl-4-(methylsulfamoylamino)piperidine-4-carboximidamide is sourced from PubChem (CID 104978294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).