N'-hydroxy-2,2-dimethyl-3-(2-propan-2-yloxyethylsulfonylamino)propanimidamide

C10H23N3O4S — CID 104873870

IUPACN'-hydroxy-2,2-dimethyl-3-(2-propan-2-yloxyethylsulfonylamino)propanimidamide
SMILESCC(C)OCCS(=O)(=O)NCC(C)(C)C(N)=NO
InChIInChI=1S/C10H23N3O4S/c1-8(2)17-5-6-18(15,16)12-7-10(3,4)9(11)13-14/h8,12,14H,5-7H2,1-4H3,(H2,11,13)
InChIKeyFVWRLYIWTSUUEF-UHFFFAOYSA-N
MW281.38 g/mol
LogP0.10
Rot. Bonds8

About N'-hydroxy-2,2-dimethyl-3-(2-propan-2-yloxyethylsulfonylamino)propanimidamide

N'-hydroxy-2,2-dimethyl-3-(2-propan-2-yloxyethylsulfonylamino)propanimidamide (PubChem CID 104873870) has the molecular formula C10H23N3O4S and a molecular weight of 281.38 g/mol. Its IUPAC name is N'-hydroxy-2,2-dimethyl-3-(2-propan-2-yloxyethylsulfonylamino)propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2,2-dimethyl-3-(2-propan-2-yloxyethylsulfonylamino)propanimidamide
PubChem CID104873870
Molecular FormulaC10H23N3O4S
Molecular Weight281.38 g/mol
Exact Mass281.14
IUPAC NameN'-hydroxy-2,2-dimethyl-3-(2-propan-2-yloxyethylsulfonylamino)propanimidamide
SMILESCC(C)OCCS(=O)(=O)NCC(C)(C)C(N)=NO
InChIInChI=1S/C10H23N3O4S/c1-8(2)17-5-6-18(15,16)12-7-10(3,4)9(11)13-14/h8,12,14H,5-7H2,1-4H3,(H2,11,13)
InChIKeyFVWRLYIWTSUUEF-UHFFFAOYSA-N
XLogP0.10
TPSA114.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 50.10
H-Bond Donors ≤ 53
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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Related Compounds

N-(2-hydroxy-2-methylpropyl)-2-propan-2-yloxyethanesulfonamide
CID 79593878
N'-hydroxy-2-(2-propan-2-yloxyethylsulfonylamino)ethanimidamide
CID 79594323
N-(2,2-difluoro-3-hydroxypropyl)-2-propan-2-yloxyethanesulfonamide
CID 104858720
3-(difluoromethylsulfonylamino)-N'-hydroxy-2,2-dimethylpropanimidamide
CID 104873880
2-hydroxy-2-methyl-3-(2-propan-2-yloxyethylsulfonylamino)propanoic acid
CID 79594626
N'-hydroxy-4-(2-propan-2-yloxyethylsulfonylamino)butanimidamide
CID 79593807
N'-hydroxy-2,2-dimethyl-3-[[methyl(propan-2-yl)sulfamoyl]amino]propanimidamide
CID 104873849
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-propan-2-yloxyethanesulfonamide
CID 71911079
N-(1-hydroxy-2-methylpropan-2-yl)-2-propan-2-yloxyethanesulfonamide
CID 79593875
2-hydroxy-3-(2-propan-2-yloxyethylsulfonylamino)propanamide
CID 107258283
N'-hydroxy-2,2-dimethyl-4-(2-propan-2-yloxyethylamino)butanimidamide
CID 104762047
N-[(2S)-2-hydroxypropyl]-2-propan-2-yloxyethanesulfonamide
CID 83029580

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2,2-dimethyl-3-(2-propan-2-yloxyethylsulfonylamino)propanimidamide?
The IUPAC name of N'-hydroxy-2,2-dimethyl-3-(2-propan-2-yloxyethylsulfonylamino)propanimidamide (CID 104873870) is N'-hydroxy-2,2-dimethyl-3-(2-propan-2-yloxyethylsulfonylamino)propanimidamide.
What is the SMILES notation for N'-hydroxy-2,2-dimethyl-3-(2-propan-2-yloxyethylsulfonylamino)propanimidamide?
The canonical SMILES for N'-hydroxy-2,2-dimethyl-3-(2-propan-2-yloxyethylsulfonylamino)propanimidamide is CC(C)OCCS(=O)(=O)NCC(C)(C)C(N)=NO.
What is the InChIKey of N'-hydroxy-2,2-dimethyl-3-(2-propan-2-yloxyethylsulfonylamino)propanimidamide?
The InChIKey is FVWRLYIWTSUUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O4S/c1-8(2)17-5-6-18(15,16)12-7-10(3,4)9(11)13-14/h8,12,14H,5-7H2,1-4H3,(H2,11,13).
What are the key properties of N'-hydroxy-2,2-dimethyl-3-(2-propan-2-yloxyethylsulfonylamino)propanimidamide?
N'-hydroxy-2,2-dimethyl-3-(2-propan-2-yloxyethylsulfonylamino)propanimidamide has a molecular weight of 281.38 g/mol, XLogP of 0.10, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2,2-dimethyl-3-(2-propan-2-yloxyethylsulfonylamino)propanimidamide is sourced from PubChem (CID 104873870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).