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

C8H17NO3S — CID 65053006

IUPAC2-(1,1-dioxothiolan-3-yl)oxy-2-methylpropan-1-amine
SMILESCC(C)(CN)OC1CCS(=O)(=O)C1
InChIInChI=1S/C8H17NO3S/c1-8(2,6-9)12-7-3-4-13(10,11)5-7/h7H,3-6,9H2,1-2H3
InChIKeyJYNKCHFQHOENCY-UHFFFAOYSA-N
MW207.29 g/mol
LogP-0.07
Rot. Bonds3

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

2-(1,1-dioxothiolan-3-yl)oxy-2-methylpropan-1-amine (PubChem CID 65053006) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is 2-(1,1-dioxothiolan-3-yl)oxy-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-(1,1-dioxothiolan-3-yl)oxy-2-methylpropan-1-amine
PubChem CID65053006
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC Name2-(1,1-dioxothiolan-3-yl)oxy-2-methylpropan-1-amine
SMILESCC(C)(CN)OC1CCS(=O)(=O)C1
InChIInChI=1S/C8H17NO3S/c1-8(2,6-9)12-7-3-4-13(10,11)5-7/h7H,3-6,9H2,1-2H3
InChIKeyJYNKCHFQHOENCY-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

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

2-(Aminomethyl)-2-methyl-1,4lambda6-oxathiane-4,4-dione
CID 155821716
2-(1,1-dioxothiolan-3-yl)oxy-N-ethylethanamine
CID 62336115
2-(1,1-dioxothiolan-3-yl)oxy-N-methylpropan-1-amine
CID 62338575
3-(2-Aminoethoxy)-1lambda6-thiolane-1,1-dione
CID 62343436
2-Ethoxy-3-(2-methylsulfonylethylsulfanyl)propan-1-amine
CID 63659926
2-Ethoxy-4-(2-methylsulfonylethylsulfanyl)butan-1-amine
CID 63660817
1-(1,1-Dioxothiolan-3-yl)oxy-2-methylpropan-2-amine
CID 64537408
2-Ethoxy-3-propylsulfonylpropan-1-amine
CID 64696365
4-Butylsulfonyl-2-ethoxybutan-1-amine
CID 64696379
2-Ethoxy-3-(2-methylsulfonylethylsulfonyl)propan-1-amine
CID 64696553
2-Ethoxy-3-(2-methylpropylsulfonyl)propan-1-amine
CID 64696559
3-Butan-2-ylsulfonyl-2-ethoxypropan-1-amine
CID 64696573

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothiolan-3-yl)oxy-2-methylpropan-1-amine?
The IUPAC name of 2-(1,1-dioxothiolan-3-yl)oxy-2-methylpropan-1-amine (CID 65053006) is 2-(1,1-dioxothiolan-3-yl)oxy-2-methylpropan-1-amine.
What is the SMILES notation for 2-(1,1-dioxothiolan-3-yl)oxy-2-methylpropan-1-amine?
The canonical SMILES for 2-(1,1-dioxothiolan-3-yl)oxy-2-methylpropan-1-amine is CC(C)(CN)OC1CCS(=O)(=O)C1.
What is the InChIKey of 2-(1,1-dioxothiolan-3-yl)oxy-2-methylpropan-1-amine?
The InChIKey is JYNKCHFQHOENCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-8(2,6-9)12-7-3-4-13(10,11)5-7/h7H,3-6,9H2,1-2H3.
What are the key properties of 2-(1,1-dioxothiolan-3-yl)oxy-2-methylpropan-1-amine?
2-(1,1-dioxothiolan-3-yl)oxy-2-methylpropan-1-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 2-(1,1-dioxothiolan-3-yl)oxy-2-methylpropan-1-amine is sourced from PubChem (CID 65053006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).