3-[cyclohexylmethylsulfonyl(methyl)amino]-N'-hydroxypropanimidamide

C11H23N3O3S — CID 54947894

IUPAC3-[cyclohexylmethylsulfonyl(methyl)amino]-N'-hydroxypropanimidamide
SMILESCN(CCC(N)=NO)S(=O)(=O)CC1CCCCC1
InChIInChI=1S/C11H23N3O3S/c1-14(8-7-11(12)13-15)18(16,17)9-10-5-3-2-4-6-10/h10,15H,2-9H2,1H3,(H2,12,13)
InChIKeyOTEMZIOGMROEAM-UHFFFAOYSA-N
MW277.39 g/mol
LogP0.96
Rot. Bonds6

About 3-[cyclohexylmethylsulfonyl(methyl)amino]-N'-hydroxypropanimidamide

3-[cyclohexylmethylsulfonyl(methyl)amino]-N'-hydroxypropanimidamide (PubChem CID 54947894) has the molecular formula C11H23N3O3S and a molecular weight of 277.39 g/mol. Its IUPAC name is 3-[cyclohexylmethylsulfonyl(methyl)amino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[cyclohexylmethylsulfonyl(methyl)amino]-N'-hydroxypropanimidamide
PubChem CID54947894
Molecular FormulaC11H23N3O3S
Molecular Weight277.39 g/mol
Exact Mass277.15
IUPAC Name3-[cyclohexylmethylsulfonyl(methyl)amino]-N'-hydroxypropanimidamide
SMILESCN(CCC(N)=NO)S(=O)(=O)CC1CCCCC1
InChIInChI=1S/C11H23N3O3S/c1-14(8-7-11(12)13-15)18(16,17)9-10-5-3-2-4-6-10/h10,15H,2-9H2,1H3,(H2,12,13)
InChIKeyOTEMZIOGMROEAM-UHFFFAOYSA-N
XLogP0.96
TPSA95.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 50.96
H-Bond Donors ≤ 52
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 3-[cyclohexylmethylsulfonyl(methyl)amino]-N'-hydroxypropanimidamide?
The IUPAC name of 3-[cyclohexylmethylsulfonyl(methyl)amino]-N'-hydroxypropanimidamide (CID 54947894) is 3-[cyclohexylmethylsulfonyl(methyl)amino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-[cyclohexylmethylsulfonyl(methyl)amino]-N'-hydroxypropanimidamide?
The canonical SMILES for 3-[cyclohexylmethylsulfonyl(methyl)amino]-N'-hydroxypropanimidamide is CN(CCC(N)=NO)S(=O)(=O)CC1CCCCC1.
What is the InChIKey of 3-[cyclohexylmethylsulfonyl(methyl)amino]-N'-hydroxypropanimidamide?
The InChIKey is OTEMZIOGMROEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3S/c1-14(8-7-11(12)13-15)18(16,17)9-10-5-3-2-4-6-10/h10,15H,2-9H2,1H3,(H2,12,13).
What are the key properties of 3-[cyclohexylmethylsulfonyl(methyl)amino]-N'-hydroxypropanimidamide?
3-[cyclohexylmethylsulfonyl(methyl)amino]-N'-hydroxypropanimidamide has a molecular weight of 277.39 g/mol, XLogP of 0.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclohexylmethylsulfonyl(methyl)amino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 54947894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).