4-(cyclohexylmethylsulfonylamino)-N'-hydroxybutanimidamide

C11H23N3O3S — CID 55102407

IUPAC4-(cyclohexylmethylsulfonylamino)-N'-hydroxybutanimidamide
SMILESN/C(CCCNS(=O)(=O)CC1CCCCC1)=N/O
InChIInChI=1S/C11H23N3O3S/c12-11(14-15)7-4-8-13-18(16,17)9-10-5-2-1-3-6-10/h10,13,15H,1-9H2,(H2,12,14)
InChIKeyUNQROYRTCILWCK-UHFFFAOYSA-N
MW277.39 g/mol
LogP1.01
Rot. Bonds7

About 4-(cyclohexylmethylsulfonylamino)-N'-hydroxybutanimidamide

4-(cyclohexylmethylsulfonylamino)-N'-hydroxybutanimidamide (PubChem CID 55102407) has the molecular formula C11H23N3O3S and a molecular weight of 277.39 g/mol. Its IUPAC name is 4-(cyclohexylmethylsulfonylamino)-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name4-(cyclohexylmethylsulfonylamino)-N'-hydroxybutanimidamide
PubChem CID55102407
Molecular FormulaC11H23N3O3S
Molecular Weight277.39 g/mol
Exact Mass277.15
IUPAC Name4-(cyclohexylmethylsulfonylamino)-N'-hydroxybutanimidamide
SMILESN/C(CCCNS(=O)(=O)CC1CCCCC1)=N/O
InChIInChI=1S/C11H23N3O3S/c12-11(14-15)7-4-8-13-18(16,17)9-10-5-2-1-3-6-10/h10,13,15H,1-9H2,(H2,12,14)
InChIKeyUNQROYRTCILWCK-UHFFFAOYSA-N
XLogP1.01
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

2-(cyclohexylmethylsulfonylamino)-N'-hydroxybutanimidamide
CID 54947107
3-[cyclohexylmethylsulfonyl(methyl)amino]-N'-hydroxypropanimidamide
CID 54947894
2-(cyclohexylmethylsulfonylamino)-N'-hydroxypropanimidamide
CID 54947895
3-[cyclohexylmethylsulfonyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 54991940
3-[cyclohexylmethylsulfonyl(ethyl)amino]-N'-hydroxypropanimidamide
CID 54992759
3-(cyclohexylmethylsulfonylamino)-N'-hydroxybutanimidamide
CID 55033284
2-(cyclohexylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide
CID 55151780
3-[cyclohexylmethylsulfonyl(methyl)amino]-N'-hydroxybutanimidamide
CID 55175312
2-(tert-butylsulfonylamino)-2-cyclohexyl-N'-hydroxyethanimidamide
CID 55233415
2-(cyclohexylmethylsulfonylamino)-N'-hydroxypentanimidamide
CID 61454516
2-(cyclohexylmethylsulfonylamino)-N'-hydroxyethanimidamide
CID 61454549
2-(cyclohexylmethylsulfonylamino)-N'-hydroxy-2-methylbutanimidamide
CID 61454583

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethylsulfonylamino)-N'-hydroxybutanimidamide?
The IUPAC name of 4-(cyclohexylmethylsulfonylamino)-N'-hydroxybutanimidamide (CID 55102407) is 4-(cyclohexylmethylsulfonylamino)-N'-hydroxybutanimidamide.
What is the SMILES notation for 4-(cyclohexylmethylsulfonylamino)-N'-hydroxybutanimidamide?
The canonical SMILES for 4-(cyclohexylmethylsulfonylamino)-N'-hydroxybutanimidamide is N/C(CCCNS(=O)(=O)CC1CCCCC1)=N/O.
What is the InChIKey of 4-(cyclohexylmethylsulfonylamino)-N'-hydroxybutanimidamide?
The InChIKey is UNQROYRTCILWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3S/c12-11(14-15)7-4-8-13-18(16,17)9-10-5-2-1-3-6-10/h10,13,15H,1-9H2,(H2,12,14).
What are the key properties of 4-(cyclohexylmethylsulfonylamino)-N'-hydroxybutanimidamide?
4-(cyclohexylmethylsulfonylamino)-N'-hydroxybutanimidamide has a molecular weight of 277.39 g/mol, XLogP of 1.01, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethylsulfonylamino)-N'-hydroxybutanimidamide is sourced from PubChem (CID 55102407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).