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

C12H26N4O3S — CID 76904458

IUPACN'-hydroxy-4-methyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane-1-carboximidamide
SMILESCC1CCC(NS(=O)(=O)N(C)C(C)C)(C(N)=NO)CC1
InChIInChI=1S/C12H26N4O3S/c1-9(2)16(4)20(18,19)15-12(11(13)14-17)7-5-10(3)6-8-12/h9-10,15,17H,5-8H2,1-4H3,(H2,13,14)
InChIKeyKLRRKWIDCMCCAQ-UHFFFAOYSA-N
MW306.43 g/mol
LogP0.86
Rot. Bonds5

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

N'-hydroxy-4-methyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane-1-carboximidamide (PubChem CID 76904458) has the molecular formula C12H26N4O3S and a molecular weight of 306.43 g/mol. Its IUPAC name is N'-hydroxy-4-methyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane-1-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-methyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane-1-carboximidamide
PubChem CID76904458
Molecular FormulaC12H26N4O3S
Molecular Weight306.43 g/mol
Exact Mass306.17
IUPAC NameN'-hydroxy-4-methyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane-1-carboximidamide
SMILESCC1CCC(NS(=O)(=O)N(C)C(C)C)(C(N)=NO)CC1
InChIInChI=1S/C12H26N4O3S/c1-9(2)16(4)20(18,19)15-12(11(13)14-17)7-5-10(3)6-8-12/h9-10,15,17H,5-8H2,1-4H3,(H2,13,14)
InChIKeyKLRRKWIDCMCCAQ-UHFFFAOYSA-N
XLogP0.86
TPSA108.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 50.86
H-Bond Donors ≤ 53
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'}

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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-methyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane-1-carboximidamide?
The IUPAC name of N'-hydroxy-4-methyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane-1-carboximidamide (CID 76904458) is N'-hydroxy-4-methyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane-1-carboximidamide.
What is the SMILES notation for N'-hydroxy-4-methyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane-1-carboximidamide?
The canonical SMILES for N'-hydroxy-4-methyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane-1-carboximidamide is CC1CCC(NS(=O)(=O)N(C)C(C)C)(C(N)=NO)CC1.
What is the InChIKey of N'-hydroxy-4-methyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane-1-carboximidamide?
The InChIKey is KLRRKWIDCMCCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O3S/c1-9(2)16(4)20(18,19)15-12(11(13)14-17)7-5-10(3)6-8-12/h9-10,15,17H,5-8H2,1-4H3,(H2,13,14).
What are the key properties of N'-hydroxy-4-methyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane-1-carboximidamide?
N'-hydroxy-4-methyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane-1-carboximidamide has a molecular weight of 306.43 g/mol, XLogP of 0.86, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-methyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane-1-carboximidamide is sourced from PubChem (CID 76904458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).