N'-hydroxy-5-(3-methoxypropylsulfonylamino)pentanimidamide

C9H21N3O4S — CID 77036941

IUPACN'-hydroxy-5-(3-methoxypropylsulfonylamino)pentanimidamide
SMILESCOCCCS(=O)(=O)NCCCCC(N)=NO
InChIInChI=1S/C9H21N3O4S/c1-16-7-4-8-17(14,15)11-6-3-2-5-9(10)12-13/h11,13H,2-8H2,1H3,(H2,10,12)
InChIKeySXSSNVIKSAKHSU-UHFFFAOYSA-N
MW267.35 g/mol
LogP-0.14
Rot. Bonds10

About N'-hydroxy-5-(3-methoxypropylsulfonylamino)pentanimidamide

N'-hydroxy-5-(3-methoxypropylsulfonylamino)pentanimidamide (PubChem CID 77036941) has the molecular formula C9H21N3O4S and a molecular weight of 267.35 g/mol. Its IUPAC name is N'-hydroxy-5-(3-methoxypropylsulfonylamino)pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-5-(3-methoxypropylsulfonylamino)pentanimidamide
PubChem CID77036941
Molecular FormulaC9H21N3O4S
Molecular Weight267.35 g/mol
Exact Mass267.13
IUPAC NameN'-hydroxy-5-(3-methoxypropylsulfonylamino)pentanimidamide
SMILESCOCCCS(=O)(=O)NCCCCC(N)=NO
InChIInChI=1S/C9H21N3O4S/c1-16-7-4-8-17(14,15)11-6-3-2-5-9(10)12-13/h11,13H,2-8H2,1H3,(H2,10,12)
InChIKeySXSSNVIKSAKHSU-UHFFFAOYSA-N
XLogP-0.14
TPSA114.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
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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Related Compounds

N'-hydroxy-4-(2-propan-2-yloxyethylsulfonylamino)butanimidamide
CID 79593807
N'-hydroxy-3-(3-methoxypropylsulfonylamino)butanimidamide
CID 76994145
2-methoxy-N-(4-methoxybutyl)ethanesulfonamide
CID 110416443
N-(6-bromohexyl)-3-methoxypropane-1-sulfonamide
CID 107848783
3-hydroxy-N-(5-methoxypentyl)propane-1-sulfonamide
CID 106002038
N-(5-amino-5-hydroxyiminopentyl)-3-methoxypropanamide
CID 77036734
N'-hydroxy-4-(3-methoxypropylamino)butanimidamide
CID 77027942
N'-hydroxy-4-(methylsulfonylmethylsulfonylamino)butanimidamide
CID 82842584
4-(3-methoxypropylsulfamoyl)butanoic acid
CID 28513471
7-(2-methoxyethylsulfonylamino)heptanoic acid
CID 55010122
N'-hydroxy-5-(3-methoxypropoxy)pentanimidamide
CID 109374764
N'-hydroxy-5-(2-pyridin-4-ylethylsulfonylamino)pentanimidamide
CID 77036641

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-(3-methoxypropylsulfonylamino)pentanimidamide?
The IUPAC name of N'-hydroxy-5-(3-methoxypropylsulfonylamino)pentanimidamide (CID 77036941) is N'-hydroxy-5-(3-methoxypropylsulfonylamino)pentanimidamide.
What is the SMILES notation for N'-hydroxy-5-(3-methoxypropylsulfonylamino)pentanimidamide?
The canonical SMILES for N'-hydroxy-5-(3-methoxypropylsulfonylamino)pentanimidamide is COCCCS(=O)(=O)NCCCCC(N)=NO.
What is the InChIKey of N'-hydroxy-5-(3-methoxypropylsulfonylamino)pentanimidamide?
The InChIKey is SXSSNVIKSAKHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O4S/c1-16-7-4-8-17(14,15)11-6-3-2-5-9(10)12-13/h11,13H,2-8H2,1H3,(H2,10,12).
What are the key properties of N'-hydroxy-5-(3-methoxypropylsulfonylamino)pentanimidamide?
N'-hydroxy-5-(3-methoxypropylsulfonylamino)pentanimidamide has a molecular weight of 267.35 g/mol, XLogP of -0.14, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-(3-methoxypropylsulfonylamino)pentanimidamide is sourced from PubChem (CID 77036941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).