N'-hydroxy-2-(3-methoxypropylsulfonylamino)-2-methylbutanimidamide

C9H21N3O4S — CID 55170573

IUPACN'-hydroxy-2-(3-methoxypropylsulfonylamino)-2-methylbutanimidamide
SMILESCCC(C)(NS(=O)(=O)CCCOC)/C(N)=N/O
InChIInChI=1S/C9H21N3O4S/c1-4-9(2,8(10)11-13)12-17(14,15)7-5-6-16-3/h12-13H,4-7H2,1-3H3,(H2,10,11)
InChIKeyUEQQRPCXRCYNKC-UHFFFAOYSA-N
MW267.35 g/mol
LogP-0.14
Rot. Bonds8

About N'-hydroxy-2-(3-methoxypropylsulfonylamino)-2-methylbutanimidamide

N'-hydroxy-2-(3-methoxypropylsulfonylamino)-2-methylbutanimidamide (PubChem CID 55170573) has the molecular formula C9H21N3O4S and a molecular weight of 267.35 g/mol. Its IUPAC name is N'-hydroxy-2-(3-methoxypropylsulfonylamino)-2-methylbutanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(3-methoxypropylsulfonylamino)-2-methylbutanimidamide
PubChem CID55170573
Molecular FormulaC9H21N3O4S
Molecular Weight267.35 g/mol
Exact Mass267.13
IUPAC NameN'-hydroxy-2-(3-methoxypropylsulfonylamino)-2-methylbutanimidamide
SMILESCCC(C)(NS(=O)(=O)CCCOC)/C(N)=N/O
InChIInChI=1S/C9H21N3O4S/c1-4-9(2,8(10)11-13)12-17(14,15)7-5-6-16-3/h12-13H,4-7H2,1-3H3,(H2,10,11)
InChIKeyUEQQRPCXRCYNKC-UHFFFAOYSA-N
XLogP-0.14
TPSA114.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
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'}

Analyze N'-hydroxy-2-(3-methoxypropylsulfonylamino)-2-methylbutanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(3-methoxypropylsulfonylamino)-2-methylbutanimidamide?
The IUPAC name of N'-hydroxy-2-(3-methoxypropylsulfonylamino)-2-methylbutanimidamide (CID 55170573) is N'-hydroxy-2-(3-methoxypropylsulfonylamino)-2-methylbutanimidamide.
What is the SMILES notation for N'-hydroxy-2-(3-methoxypropylsulfonylamino)-2-methylbutanimidamide?
The canonical SMILES for N'-hydroxy-2-(3-methoxypropylsulfonylamino)-2-methylbutanimidamide is CCC(C)(NS(=O)(=O)CCCOC)/C(N)=N/O.
What is the InChIKey of N'-hydroxy-2-(3-methoxypropylsulfonylamino)-2-methylbutanimidamide?
The InChIKey is UEQQRPCXRCYNKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O4S/c1-4-9(2,8(10)11-13)12-17(14,15)7-5-6-16-3/h12-13H,4-7H2,1-3H3,(H2,10,11).
What are the key properties of N'-hydroxy-2-(3-methoxypropylsulfonylamino)-2-methylbutanimidamide?
N'-hydroxy-2-(3-methoxypropylsulfonylamino)-2-methylbutanimidamide has a molecular weight of 267.35 g/mol, XLogP of -0.14, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(3-methoxypropylsulfonylamino)-2-methylbutanimidamide is sourced from PubChem (CID 55170573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).