O-[1-(1,1-dioxothian-4-yl)-2-methylpropan-2-yl]hydroxylamine

C9H19NO3S — CID 117104683

IUPACO-[1-(1,1-dioxothian-4-yl)-2-methylpropan-2-yl]hydroxylamine
SMILESCC(C)(CC1CCS(=O)(=O)CC1)ON
InChIInChI=1S/C9H19NO3S/c1-9(2,13-10)7-8-3-5-14(11,12)6-4-8/h8H,3-7,10H2,1-2H3
InChIKeyGTDGDBSRFWMMOC-UHFFFAOYSA-N
MW221.32 g/mol
LogP0.87
Rot. Bonds3

About O-[1-(1,1-dioxothian-4-yl)-2-methylpropan-2-yl]hydroxylamine

O-[1-(1,1-dioxothian-4-yl)-2-methylpropan-2-yl]hydroxylamine (PubChem CID 117104683) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is O-[1-(1,1-dioxothian-4-yl)-2-methylpropan-2-yl]hydroxylamine.

Molecular Properties

Compound NameO-[1-(1,1-dioxothian-4-yl)-2-methylpropan-2-yl]hydroxylamine
PubChem CID117104683
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC NameO-[1-(1,1-dioxothian-4-yl)-2-methylpropan-2-yl]hydroxylamine
SMILESCC(C)(CC1CCS(=O)(=O)CC1)ON
InChIInChI=1S/C9H19NO3S/c1-9(2,13-10)7-8-3-5-14(11,12)6-4-8/h8H,3-7,10H2,1-2H3
InChIKeyGTDGDBSRFWMMOC-UHFFFAOYSA-N
XLogP0.87
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

O-[1-(1,1-dioxothian-2-yl)-2-methylpropan-2-yl]hydroxylamine
CID 117104786
2-(1,1-dioxothian-4-yl)ethanamine;hydrochloride
CID 56828087
4-(2-chloroethyl)thiane 1,1-dioxide
CID 165442891
4-(3-methylbutyl)thiane 1,1-dioxide
CID 155094619
N-[2-(1,1-dioxothian-4-yl)ethyl]-N-methylhydroxylamine
CID 105460988
4-[2-[(E)-prop-1-enoxy]ethyl]thiane 1,1-dioxide
CID 176604731
1-[2-(1,1-dioxothian-4-yl)ethyl]cyclopentan-1-amine
CID 115074188
2-(1,1-dioxothian-4-yl)propan-2-amine
CID 82604372
4-(1,1-dioxothiolan-3-yl)-2-methylbutan-2-ol
CID 84739893
(1,1-dioxothiepan-4-yl)methylhydrazine
CID 84664356
2-(1,1-dioxothian-4-yl)-2-fluoropropan-1-amine
CID 105463191
N-[2-(1,1-dioxothian-4-yl)ethyl]-1,1,1-trifluoromethanesulfonamide
CID 163494699

Frequently Asked Questions

What is the IUPAC name of O-[1-(1,1-dioxothian-4-yl)-2-methylpropan-2-yl]hydroxylamine?
The IUPAC name of O-[1-(1,1-dioxothian-4-yl)-2-methylpropan-2-yl]hydroxylamine (CID 117104683) is O-[1-(1,1-dioxothian-4-yl)-2-methylpropan-2-yl]hydroxylamine.
What is the SMILES notation for O-[1-(1,1-dioxothian-4-yl)-2-methylpropan-2-yl]hydroxylamine?
The canonical SMILES for O-[1-(1,1-dioxothian-4-yl)-2-methylpropan-2-yl]hydroxylamine is CC(C)(CC1CCS(=O)(=O)CC1)ON.
What is the InChIKey of O-[1-(1,1-dioxothian-4-yl)-2-methylpropan-2-yl]hydroxylamine?
The InChIKey is GTDGDBSRFWMMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-9(2,13-10)7-8-3-5-14(11,12)6-4-8/h8H,3-7,10H2,1-2H3.
What are the key properties of O-[1-(1,1-dioxothian-4-yl)-2-methylpropan-2-yl]hydroxylamine?
O-[1-(1,1-dioxothian-4-yl)-2-methylpropan-2-yl]hydroxylamine has a molecular weight of 221.32 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-[1-(1,1-dioxothian-4-yl)-2-methylpropan-2-yl]hydroxylamine is sourced from PubChem (CID 117104683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).