1-(1,1-dioxothian-3-yl)ethanamine

C7H15NO2S — CID 66436765

IUPAC1-(1,1-dioxothian-3-yl)ethanamine
SMILESCC(N)C1CCCS(=O)(=O)C1
InChIInChI=1S/C7H15NO2S/c1-6(8)7-3-2-4-11(9,10)5-7/h6-7H,2-5,8H2,1H3
InChIKeyCMANASQMENUUFS-UHFFFAOYSA-N
MW177.27 g/mol
LogP0.16
Rot. Bonds1

About 1-(1,1-dioxothian-3-yl)ethanamine

1-(1,1-dioxothian-3-yl)ethanamine (PubChem CID 66436765) has the molecular formula C7H15NO2S and a molecular weight of 177.27 g/mol. Its IUPAC name is 1-(1,1-dioxothian-3-yl)ethanamine.

Molecular Properties

Compound Name1-(1,1-dioxothian-3-yl)ethanamine
PubChem CID66436765
Molecular FormulaC7H15NO2S
Molecular Weight177.27 g/mol
Exact Mass177.08
IUPAC Name1-(1,1-dioxothian-3-yl)ethanamine
SMILESCC(N)C1CCCS(=O)(=O)C1
InChIInChI=1S/C7H15NO2S/c1-6(8)7-3-2-4-11(9,10)5-7/h6-7H,2-5,8H2,1H3
InChIKeyCMANASQMENUUFS-UHFFFAOYSA-N
XLogP0.16
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,1-dioxothian-3-yl)-N,2-dimethylpropan-1-amine
CID 79299591
(3R)-1,1-dioxo-N-propan-2-ylthian-3-amine
CID 176810874
O-[1-(1,1-dioxothiolan-3-yl)ethyl]hydroxylamine
CID 117104622
[2-[1-(1,1-dioxothian-3-yl)ethyl]phenyl]methanamine
CID 115049800
N-(2-cyclopropylpropyl)-1,1-dioxothian-3-amine
CID 115900871
1-(1,1-dioxothian-3-yl)-N-ethylbutan-1-amine
CID 83050384
1-[1-(1,1-dioxothiolan-3-yl)sulfonylpiperidin-4-yl]ethanamine
CID 63597100
2-(1,1-dioxothian-3-yl)-2-fluoroethanimidamide
CID 115025790
(1S)-1-cyclobutylethanamine;hydron;chloride
CID 118957169
1-(1,1-dioxothiolan-3-yl)-2-methylprop-2-en-1-amine
CID 115336612
2-amino-N-(1,1-dioxothian-3-yl)-3,3-dimethylbutanamide
CID 77013077
2-[1-(1,1-dioxothian-3-yl)ethyl]benzaldehyde
CID 115049571

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothian-3-yl)ethanamine?
The IUPAC name of 1-(1,1-dioxothian-3-yl)ethanamine (CID 66436765) is 1-(1,1-dioxothian-3-yl)ethanamine.
What is the SMILES notation for 1-(1,1-dioxothian-3-yl)ethanamine?
The canonical SMILES for 1-(1,1-dioxothian-3-yl)ethanamine is CC(N)C1CCCS(=O)(=O)C1.
What is the InChIKey of 1-(1,1-dioxothian-3-yl)ethanamine?
The InChIKey is CMANASQMENUUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2S/c1-6(8)7-3-2-4-11(9,10)5-7/h6-7H,2-5,8H2,1H3.
What are the key properties of 1-(1,1-dioxothian-3-yl)ethanamine?
1-(1,1-dioxothian-3-yl)ethanamine has a molecular weight of 177.27 g/mol, XLogP of 0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothian-3-yl)ethanamine is sourced from PubChem (CID 66436765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).