N'-hydroxy-3-[methyl(3-methylbutylsulfonyl)amino]butanimidamide

C10H23N3O3S — CID 77008656

IUPACN'-hydroxy-3-[methyl(3-methylbutylsulfonyl)amino]butanimidamide
SMILESCC(C)CCS(=O)(=O)N(C)C(C)CC(N)=NO
InChIInChI=1S/C10H23N3O3S/c1-8(2)5-6-17(15,16)13(4)9(3)7-10(11)12-14/h8-9,14H,5-7H2,1-4H3,(H2,11,12)
InChIKeyTXMSDCOKCNQKLH-UHFFFAOYSA-N
MW265.38 g/mol
LogP0.82
Rot. Bonds7

About N'-hydroxy-3-[methyl(3-methylbutylsulfonyl)amino]butanimidamide

N'-hydroxy-3-[methyl(3-methylbutylsulfonyl)amino]butanimidamide (PubChem CID 77008656) has the molecular formula C10H23N3O3S and a molecular weight of 265.38 g/mol. Its IUPAC name is N'-hydroxy-3-[methyl(3-methylbutylsulfonyl)amino]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[methyl(3-methylbutylsulfonyl)amino]butanimidamide
PubChem CID77008656
Molecular FormulaC10H23N3O3S
Molecular Weight265.38 g/mol
Exact Mass265.15
IUPAC NameN'-hydroxy-3-[methyl(3-methylbutylsulfonyl)amino]butanimidamide
SMILESCC(C)CCS(=O)(=O)N(C)C(C)CC(N)=NO
InChIInChI=1S/C10H23N3O3S/c1-8(2)5-6-17(15,16)13(4)9(3)7-10(11)12-14/h8-9,14H,5-7H2,1-4H3,(H2,11,12)
InChIKeyTXMSDCOKCNQKLH-UHFFFAOYSA-N
XLogP0.82
TPSA95.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 50.82
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 N'-hydroxy-3-[methyl(3-methylbutylsulfonyl)amino]butanimidamide?
The IUPAC name of N'-hydroxy-3-[methyl(3-methylbutylsulfonyl)amino]butanimidamide (CID 77008656) is N'-hydroxy-3-[methyl(3-methylbutylsulfonyl)amino]butanimidamide.
What is the SMILES notation for N'-hydroxy-3-[methyl(3-methylbutylsulfonyl)amino]butanimidamide?
The canonical SMILES for N'-hydroxy-3-[methyl(3-methylbutylsulfonyl)amino]butanimidamide is CC(C)CCS(=O)(=O)N(C)C(C)CC(N)=NO.
What is the InChIKey of N'-hydroxy-3-[methyl(3-methylbutylsulfonyl)amino]butanimidamide?
The InChIKey is TXMSDCOKCNQKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O3S/c1-8(2)5-6-17(15,16)13(4)9(3)7-10(11)12-14/h8-9,14H,5-7H2,1-4H3,(H2,11,12).
What are the key properties of N'-hydroxy-3-[methyl(3-methylbutylsulfonyl)amino]butanimidamide?
N'-hydroxy-3-[methyl(3-methylbutylsulfonyl)amino]butanimidamide has a molecular weight of 265.38 g/mol, XLogP of 0.82, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[methyl(3-methylbutylsulfonyl)amino]butanimidamide is sourced from PubChem (CID 77008656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).