N-(1-aminooxy-2-methylpropan-2-yl)propane-1-sulfonamide

C7H18N2O3S — CID 39242687

IUPACN-(1-aminooxy-2-methylpropan-2-yl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC(C)(C)CON
InChIInChI=1S/C7H18N2O3S/c1-4-5-13(10,11)9-7(2,3)6-12-8/h9H,4-6,8H2,1-3H3
InChIKeyDDHKMOZENWYPPQ-UHFFFAOYSA-N
MW210.30 g/mol
LogP-0.02
Rot. Bonds6

About N-(1-aminooxy-2-methylpropan-2-yl)propane-1-sulfonamide

N-(1-aminooxy-2-methylpropan-2-yl)propane-1-sulfonamide (PubChem CID 39242687) has the molecular formula C7H18N2O3S and a molecular weight of 210.30 g/mol. Its IUPAC name is N-(1-aminooxy-2-methylpropan-2-yl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(1-aminooxy-2-methylpropan-2-yl)propane-1-sulfonamide
PubChem CID39242687
Molecular FormulaC7H18N2O3S
Molecular Weight210.30 g/mol
Exact Mass210.10
IUPAC NameN-(1-aminooxy-2-methylpropan-2-yl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC(C)(C)CON
InChIInChI=1S/C7H18N2O3S/c1-4-5-13(10,11)9-7(2,3)6-12-8/h9H,4-6,8H2,1-3H3
InChIKeyDDHKMOZENWYPPQ-UHFFFAOYSA-N
XLogP-0.02
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(1-methoxy-2-methylpropan-2-yl)ethanesulfonamide
CID 115617292
N-(1-aminooxy-2-methylpropan-2-yl)-4-ethylbenzenesulfonamide
CID 39371867
N-(1-amino-2-methylpropan-2-yl)-2-ethoxyethanesulfonamide
CID 63246035
N-(1-amino-2-methylpropan-2-yl)ethanesulfonamide
CID 61124177
N-(2-cyanopropan-2-yl)propane-1-sulfonamide
CID 61127904
N-(1-hydroxy-2-methylpropan-2-yl)-3-methoxypropane-1-sulfonamide
CID 63289872
O-ethylhydroxylamine;methanesulfonic acid
CID 172739815
N-(1-hydroxy-2-methylpropan-2-yl)-2-propan-2-yloxyethanesulfonamide
CID 79593875
N-(2-methylpentan-2-yl)-3-(propylamino)propane-1-sulfonamide
CID 106079280
N-(1-aminooxy-2-methylpropan-2-yl)-2,5-dimethoxybenzenesulfonamide
CID 39432708
N-(1-amino-2-methylpropan-2-yl)-3-methylbutane-1-sulfonamide
CID 63834751
tert-butyl carbamate;1-methylsulfonylpropane
CID 174621331

Frequently Asked Questions

What is the IUPAC name of N-(1-aminooxy-2-methylpropan-2-yl)propane-1-sulfonamide?
The IUPAC name of N-(1-aminooxy-2-methylpropan-2-yl)propane-1-sulfonamide (CID 39242687) is N-(1-aminooxy-2-methylpropan-2-yl)propane-1-sulfonamide.
What is the SMILES notation for N-(1-aminooxy-2-methylpropan-2-yl)propane-1-sulfonamide?
The canonical SMILES for N-(1-aminooxy-2-methylpropan-2-yl)propane-1-sulfonamide is CCCS(=O)(=O)NC(C)(C)CON.
What is the InChIKey of N-(1-aminooxy-2-methylpropan-2-yl)propane-1-sulfonamide?
The InChIKey is DDHKMOZENWYPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O3S/c1-4-5-13(10,11)9-7(2,3)6-12-8/h9H,4-6,8H2,1-3H3.
What are the key properties of N-(1-aminooxy-2-methylpropan-2-yl)propane-1-sulfonamide?
N-(1-aminooxy-2-methylpropan-2-yl)propane-1-sulfonamide has a molecular weight of 210.30 g/mol, XLogP of -0.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminooxy-2-methylpropan-2-yl)propane-1-sulfonamide is sourced from PubChem (CID 39242687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).