N'-hydroxy-1-methyl-4-[[methyl(propan-2-yl)sulfamoyl]amino]piperidine-4-carboximidamide

C11H25N5O3S — CID 76904456

IUPACN'-hydroxy-1-methyl-4-[[methyl(propan-2-yl)sulfamoyl]amino]piperidine-4-carboximidamide
SMILESCC(C)N(C)S(=O)(=O)NC1(C(N)=NO)CCN(C)CC1
InChIInChI=1S/C11H25N5O3S/c1-9(2)16(4)20(18,19)14-11(10(12)13-17)5-7-15(3)8-6-11/h9,14,17H,5-8H2,1-4H3,(H2,12,13)
InChIKeyMBKIGFQBFUYDMZ-UHFFFAOYSA-N
MW307.42 g/mol
LogP-0.63
Rot. Bonds5

About N'-hydroxy-1-methyl-4-[[methyl(propan-2-yl)sulfamoyl]amino]piperidine-4-carboximidamide

N'-hydroxy-1-methyl-4-[[methyl(propan-2-yl)sulfamoyl]amino]piperidine-4-carboximidamide (PubChem CID 76904456) has the molecular formula C11H25N5O3S and a molecular weight of 307.42 g/mol. Its IUPAC name is N'-hydroxy-1-methyl-4-[[methyl(propan-2-yl)sulfamoyl]amino]piperidine-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-methyl-4-[[methyl(propan-2-yl)sulfamoyl]amino]piperidine-4-carboximidamide
PubChem CID76904456
Molecular FormulaC11H25N5O3S
Molecular Weight307.42 g/mol
Exact Mass307.17
IUPAC NameN'-hydroxy-1-methyl-4-[[methyl(propan-2-yl)sulfamoyl]amino]piperidine-4-carboximidamide
SMILESCC(C)N(C)S(=O)(=O)NC1(C(N)=NO)CCN(C)CC1
InChIInChI=1S/C11H25N5O3S/c1-9(2)16(4)20(18,19)14-11(10(12)13-17)5-7-15(3)8-6-11/h9,14,17H,5-8H2,1-4H3,(H2,12,13)
InChIKeyMBKIGFQBFUYDMZ-UHFFFAOYSA-N
XLogP-0.63
TPSA111.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 5-0.63
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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1-methyl-4-[[methyl(propan-2-yl)sulfamoyl]amino]piperidine-4-carboximidamide?
The IUPAC name of N'-hydroxy-1-methyl-4-[[methyl(propan-2-yl)sulfamoyl]amino]piperidine-4-carboximidamide (CID 76904456) is N'-hydroxy-1-methyl-4-[[methyl(propan-2-yl)sulfamoyl]amino]piperidine-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-methyl-4-[[methyl(propan-2-yl)sulfamoyl]amino]piperidine-4-carboximidamide?
The canonical SMILES for N'-hydroxy-1-methyl-4-[[methyl(propan-2-yl)sulfamoyl]amino]piperidine-4-carboximidamide is CC(C)N(C)S(=O)(=O)NC1(C(N)=NO)CCN(C)CC1.
What is the InChIKey of N'-hydroxy-1-methyl-4-[[methyl(propan-2-yl)sulfamoyl]amino]piperidine-4-carboximidamide?
The InChIKey is MBKIGFQBFUYDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N5O3S/c1-9(2)16(4)20(18,19)14-11(10(12)13-17)5-7-15(3)8-6-11/h9,14,17H,5-8H2,1-4H3,(H2,12,13).
What are the key properties of N'-hydroxy-1-methyl-4-[[methyl(propan-2-yl)sulfamoyl]amino]piperidine-4-carboximidamide?
N'-hydroxy-1-methyl-4-[[methyl(propan-2-yl)sulfamoyl]amino]piperidine-4-carboximidamide has a molecular weight of 307.42 g/mol, XLogP of -0.63, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-methyl-4-[[methyl(propan-2-yl)sulfamoyl]amino]piperidine-4-carboximidamide is sourced from PubChem (CID 76904456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).