N'-hydroxy-3-[3-methylsulfonylpropyl(propan-2-yl)amino]propanimidamide

C10H23N3O3S — CID 55160800

IUPACN'-hydroxy-3-[3-methylsulfonylpropyl(propan-2-yl)amino]propanimidamide
SMILESCC(C)N(CCCS(C)(=O)=O)CC/C(N)=N/O
InChIInChI=1S/C10H23N3O3S/c1-9(2)13(7-5-10(11)12-14)6-4-8-17(3,15)16/h9,14H,4-8H2,1-3H3,(H2,11,12)
InChIKeyBLULZLPPMADHHL-UHFFFAOYSA-N
MW265.38 g/mol
LogP0.27
Rot. Bonds8

About N'-hydroxy-3-[3-methylsulfonylpropyl(propan-2-yl)amino]propanimidamide

N'-hydroxy-3-[3-methylsulfonylpropyl(propan-2-yl)amino]propanimidamide (PubChem CID 55160800) has the molecular formula C10H23N3O3S and a molecular weight of 265.38 g/mol. Its IUPAC name is N'-hydroxy-3-[3-methylsulfonylpropyl(propan-2-yl)amino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[3-methylsulfonylpropyl(propan-2-yl)amino]propanimidamide
PubChem CID55160800
Molecular FormulaC10H23N3O3S
Molecular Weight265.38 g/mol
Exact Mass265.15
IUPAC NameN'-hydroxy-3-[3-methylsulfonylpropyl(propan-2-yl)amino]propanimidamide
SMILESCC(C)N(CCCS(C)(=O)=O)CC/C(N)=N/O
InChIInChI=1S/C10H23N3O3S/c1-9(2)13(7-5-10(11)12-14)6-4-8-17(3,15)16/h9,14H,4-8H2,1-3H3,(H2,11,12)
InChIKeyBLULZLPPMADHHL-UHFFFAOYSA-N
XLogP0.27
TPSA95.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[3-methylsulfonylpropyl(propan-2-yl)amino]propanimidamide?
The IUPAC name of N'-hydroxy-3-[3-methylsulfonylpropyl(propan-2-yl)amino]propanimidamide (CID 55160800) is N'-hydroxy-3-[3-methylsulfonylpropyl(propan-2-yl)amino]propanimidamide.
What is the SMILES notation for N'-hydroxy-3-[3-methylsulfonylpropyl(propan-2-yl)amino]propanimidamide?
The canonical SMILES for N'-hydroxy-3-[3-methylsulfonylpropyl(propan-2-yl)amino]propanimidamide is CC(C)N(CCCS(C)(=O)=O)CC/C(N)=N/O.
What is the InChIKey of N'-hydroxy-3-[3-methylsulfonylpropyl(propan-2-yl)amino]propanimidamide?
The InChIKey is BLULZLPPMADHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O3S/c1-9(2)13(7-5-10(11)12-14)6-4-8-17(3,15)16/h9,14H,4-8H2,1-3H3,(H2,11,12).
What are the key properties of N'-hydroxy-3-[3-methylsulfonylpropyl(propan-2-yl)amino]propanimidamide?
N'-hydroxy-3-[3-methylsulfonylpropyl(propan-2-yl)amino]propanimidamide has a molecular weight of 265.38 g/mol, XLogP of 0.27, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[3-methylsulfonylpropyl(propan-2-yl)amino]propanimidamide is sourced from PubChem (CID 55160800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).