1-(1,1-dioxothiolan-3-yl)oxy-2-methylpropan-2-amine

C8H17NO3S — CID 64537408

IUPAC1-(1,1-dioxothiolan-3-yl)oxy-2-methylpropan-2-amine
SMILESCC(C)(N)COC1CCS(=O)(=O)C1
InChIInChI=1S/C8H17NO3S/c1-8(2,9)6-12-7-3-4-13(10,11)5-7/h7H,3-6,9H2,1-2H3
InChIKeyUQQHHZATHAYJAI-UHFFFAOYSA-N
MW207.29 g/mol
LogP-0.07
Rot. Bonds3

About 1-(1,1-dioxothiolan-3-yl)oxy-2-methylpropan-2-amine

1-(1,1-dioxothiolan-3-yl)oxy-2-methylpropan-2-amine (PubChem CID 64537408) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is 1-(1,1-dioxothiolan-3-yl)oxy-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(1,1-dioxothiolan-3-yl)oxy-2-methylpropan-2-amine
PubChem CID64537408
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC Name1-(1,1-dioxothiolan-3-yl)oxy-2-methylpropan-2-amine
SMILESCC(C)(N)COC1CCS(=O)(=O)C1
InChIInChI=1S/C8H17NO3S/c1-8(2,9)6-12-7-3-4-13(10,11)5-7/h7H,3-6,9H2,1-2H3
InChIKeyUQQHHZATHAYJAI-UHFFFAOYSA-N
XLogP-0.07
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothiolan-3-yl)oxy-2-methylpropan-2-amine?
The IUPAC name of 1-(1,1-dioxothiolan-3-yl)oxy-2-methylpropan-2-amine (CID 64537408) is 1-(1,1-dioxothiolan-3-yl)oxy-2-methylpropan-2-amine.
What is the SMILES notation for 1-(1,1-dioxothiolan-3-yl)oxy-2-methylpropan-2-amine?
The canonical SMILES for 1-(1,1-dioxothiolan-3-yl)oxy-2-methylpropan-2-amine is CC(C)(N)COC1CCS(=O)(=O)C1.
What is the InChIKey of 1-(1,1-dioxothiolan-3-yl)oxy-2-methylpropan-2-amine?
The InChIKey is UQQHHZATHAYJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-8(2,9)6-12-7-3-4-13(10,11)5-7/h7H,3-6,9H2,1-2H3.
What are the key properties of 1-(1,1-dioxothiolan-3-yl)oxy-2-methylpropan-2-amine?
1-(1,1-dioxothiolan-3-yl)oxy-2-methylpropan-2-amine has a molecular weight of 207.29 g/mol, XLogP of -0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothiolan-3-yl)oxy-2-methylpropan-2-amine is sourced from PubChem (CID 64537408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).