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

C12H25N3O3S — CID 55175312

IUPAC3-[cyclohexylmethylsulfonyl(methyl)amino]-N'-hydroxybutanimidamide
SMILESCC(C/C(N)=N/O)N(C)S(=O)(=O)CC1CCCCC1
InChIInChI=1S/C12H25N3O3S/c1-10(8-12(13)14-16)15(2)19(17,18)9-11-6-4-3-5-7-11/h10-11,16H,3-9H2,1-2H3,(H2,13,14)
InChIKeyUIBRVPQMJVJQLY-UHFFFAOYSA-N
MW291.42 g/mol
LogP1.35
Rot. Bonds6

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

3-[cyclohexylmethylsulfonyl(methyl)amino]-N'-hydroxybutanimidamide (PubChem CID 55175312) has the molecular formula C12H25N3O3S and a molecular weight of 291.42 g/mol. Its IUPAC name is 3-[cyclohexylmethylsulfonyl(methyl)amino]-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name3-[cyclohexylmethylsulfonyl(methyl)amino]-N'-hydroxybutanimidamide
PubChem CID55175312
Molecular FormulaC12H25N3O3S
Molecular Weight291.42 g/mol
Exact Mass291.16
IUPAC Name3-[cyclohexylmethylsulfonyl(methyl)amino]-N'-hydroxybutanimidamide
SMILESCC(C/C(N)=N/O)N(C)S(=O)(=O)CC1CCCCC1
InChIInChI=1S/C12H25N3O3S/c1-10(8-12(13)14-16)15(2)19(17,18)9-11-6-4-3-5-7-11/h10-11,16H,3-9H2,1-2H3,(H2,13,14)
InChIKeyUIBRVPQMJVJQLY-UHFFFAOYSA-N
XLogP1.35
TPSA95.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 51.35
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'-hydroxybutanimidamide?
The IUPAC name of 3-[cyclohexylmethylsulfonyl(methyl)amino]-N'-hydroxybutanimidamide (CID 55175312) is 3-[cyclohexylmethylsulfonyl(methyl)amino]-N'-hydroxybutanimidamide.
What is the SMILES notation for 3-[cyclohexylmethylsulfonyl(methyl)amino]-N'-hydroxybutanimidamide?
The canonical SMILES for 3-[cyclohexylmethylsulfonyl(methyl)amino]-N'-hydroxybutanimidamide is CC(C/C(N)=N/O)N(C)S(=O)(=O)CC1CCCCC1.
What is the InChIKey of 3-[cyclohexylmethylsulfonyl(methyl)amino]-N'-hydroxybutanimidamide?
The InChIKey is UIBRVPQMJVJQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O3S/c1-10(8-12(13)14-16)15(2)19(17,18)9-11-6-4-3-5-7-11/h10-11,16H,3-9H2,1-2H3,(H2,13,14).
What are the key properties of 3-[cyclohexylmethylsulfonyl(methyl)amino]-N'-hydroxybutanimidamide?
3-[cyclohexylmethylsulfonyl(methyl)amino]-N'-hydroxybutanimidamide has a molecular weight of 291.42 g/mol, XLogP of 1.35, 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'-hydroxybutanimidamide is sourced from PubChem (CID 55175312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).