N'-hydroxy-3-(3-methoxypropylsulfonylamino)pentanimidamide

C9H21N3O4S — CID 55170575

IUPACN'-hydroxy-3-(3-methoxypropylsulfonylamino)pentanimidamide
SMILESCCC(C/C(N)=N/O)NS(=O)(=O)CCCOC
InChIInChI=1S/C9H21N3O4S/c1-3-8(7-9(10)11-13)12-17(14,15)6-4-5-16-2/h8,12-13H,3-7H2,1-2H3,(H2,10,11)
InChIKeyXATUDDHKEWQOEV-UHFFFAOYSA-N
MW267.35 g/mol
LogP-0.14
Rot. Bonds9

About N'-hydroxy-3-(3-methoxypropylsulfonylamino)pentanimidamide

N'-hydroxy-3-(3-methoxypropylsulfonylamino)pentanimidamide (PubChem CID 55170575) has the molecular formula C9H21N3O4S and a molecular weight of 267.35 g/mol. Its IUPAC name is N'-hydroxy-3-(3-methoxypropylsulfonylamino)pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(3-methoxypropylsulfonylamino)pentanimidamide
PubChem CID55170575
Molecular FormulaC9H21N3O4S
Molecular Weight267.35 g/mol
Exact Mass267.13
IUPAC NameN'-hydroxy-3-(3-methoxypropylsulfonylamino)pentanimidamide
SMILESCCC(C/C(N)=N/O)NS(=O)(=O)CCCOC
InChIInChI=1S/C9H21N3O4S/c1-3-8(7-9(10)11-13)12-17(14,15)6-4-5-16-2/h8,12-13H,3-7H2,1-2H3,(H2,10,11)
InChIKeyXATUDDHKEWQOEV-UHFFFAOYSA-N
XLogP-0.14
TPSA114.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-(3-methoxypropylsulfonylamino)pentanimidamide?
The IUPAC name of N'-hydroxy-3-(3-methoxypropylsulfonylamino)pentanimidamide (CID 55170575) is N'-hydroxy-3-(3-methoxypropylsulfonylamino)pentanimidamide.
What is the SMILES notation for N'-hydroxy-3-(3-methoxypropylsulfonylamino)pentanimidamide?
The canonical SMILES for N'-hydroxy-3-(3-methoxypropylsulfonylamino)pentanimidamide is CCC(C/C(N)=N/O)NS(=O)(=O)CCCOC.
What is the InChIKey of N'-hydroxy-3-(3-methoxypropylsulfonylamino)pentanimidamide?
The InChIKey is XATUDDHKEWQOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O4S/c1-3-8(7-9(10)11-13)12-17(14,15)6-4-5-16-2/h8,12-13H,3-7H2,1-2H3,(H2,10,11).
What are the key properties of N'-hydroxy-3-(3-methoxypropylsulfonylamino)pentanimidamide?
N'-hydroxy-3-(3-methoxypropylsulfonylamino)pentanimidamide has a molecular weight of 267.35 g/mol, XLogP of -0.14, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(3-methoxypropylsulfonylamino)pentanimidamide is sourced from PubChem (CID 55170575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).