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

C9H19NO3S — CID 117104786

IUPACO-[1-(1,1-dioxothian-2-yl)-2-methylpropan-2-yl]hydroxylamine
SMILESCC(C)(CC1CCCCS1(=O)=O)ON
InChIInChI=1S/C9H19NO3S/c1-9(2,13-10)7-8-5-3-4-6-14(8,11)12/h8H,3-7,10H2,1-2H3
InChIKeyYEGOIPGNCGOOTH-UHFFFAOYSA-N
MW221.32 g/mol
LogP1.01
Rot. Bonds3

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

O-[1-(1,1-dioxothian-2-yl)-2-methylpropan-2-yl]hydroxylamine (PubChem CID 117104786) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is O-[1-(1,1-dioxothian-2-yl)-2-methylpropan-2-yl]hydroxylamine.

Molecular Properties

Compound NameO-[1-(1,1-dioxothian-2-yl)-2-methylpropan-2-yl]hydroxylamine
PubChem CID117104786
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC NameO-[1-(1,1-dioxothian-2-yl)-2-methylpropan-2-yl]hydroxylamine
SMILESCC(C)(CC1CCCCS1(=O)=O)ON
InChIInChI=1S/C9H19NO3S/c1-9(2,13-10)7-8-5-3-4-6-14(8,11)12/h8H,3-7,10H2,1-2H3
InChIKeyYEGOIPGNCGOOTH-UHFFFAOYSA-N
XLogP1.01
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 ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze O-[1-(1,1-dioxothian-2-yl)-2-methylpropan-2-yl]hydroxylamine with MolForge

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

Launch Full Analysis

Related Compounds

O-[1-(1,1-dioxothian-4-yl)-2-methylpropan-2-yl]hydroxylamine
CID 117104683
[(2R)-1,1-dioxothian-2-yl]methanol
CID 94865465
N-[2-(1,1-dioxothian-2-yl)ethyl]-N-methylhydroxylamine
CID 105460990
(1,1-dioxothiolan-2-yl)methanamine
CID 55289628
4-(1,1-dioxothiolan-2-yl)-3,3-difluorobutan-2-ol
CID 105485479
2-(isocyanomethyl)thiane 1,1-dioxide
CID 117103151
N-[(1,1-dioxothian-2-yl)methyl]propan-1-amine
CID 104519114
1-[2-(1,1-dioxothian-2-yl)ethyl]cyclopentan-1-ol
CID 115073727
2-(1,1-dioxothian-2-yl)acetohydrazide
CID 84674346
1-[2-(1,1-dioxothian-2-yl)ethyl]cyclopropan-1-ol
CID 115073563
2-tert-butyl-N-[(1,1-dioxothiolan-2-yl)methyl]cyclohexan-1-amine
CID 81038779
2-[2-[(1,1-dioxothian-2-yl)methyl]-2-methyl-1,3-dioxolan-4-yl]ethanamine
CID 117169128

Frequently Asked Questions

What is the IUPAC name of O-[1-(1,1-dioxothian-2-yl)-2-methylpropan-2-yl]hydroxylamine?
The IUPAC name of O-[1-(1,1-dioxothian-2-yl)-2-methylpropan-2-yl]hydroxylamine (CID 117104786) is O-[1-(1,1-dioxothian-2-yl)-2-methylpropan-2-yl]hydroxylamine.
What is the SMILES notation for O-[1-(1,1-dioxothian-2-yl)-2-methylpropan-2-yl]hydroxylamine?
The canonical SMILES for O-[1-(1,1-dioxothian-2-yl)-2-methylpropan-2-yl]hydroxylamine is CC(C)(CC1CCCCS1(=O)=O)ON.
What is the InChIKey of O-[1-(1,1-dioxothian-2-yl)-2-methylpropan-2-yl]hydroxylamine?
The InChIKey is YEGOIPGNCGOOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-9(2,13-10)7-8-5-3-4-6-14(8,11)12/h8H,3-7,10H2,1-2H3.
What are the key properties of O-[1-(1,1-dioxothian-2-yl)-2-methylpropan-2-yl]hydroxylamine?
O-[1-(1,1-dioxothian-2-yl)-2-methylpropan-2-yl]hydroxylamine has a molecular weight of 221.32 g/mol, XLogP of 1.01, 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-2-yl)-2-methylpropan-2-yl]hydroxylamine is sourced from PubChem (CID 117104786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).