2-(1,1-dioxothietan-3-yl)ethanamine;hydrochloride

C5H12ClNO2S — CID 75525617

IUPAC2-(1,1-dioxothietan-3-yl)ethanamine;hydrochloride
SMILESCl.NCCC1CS(=O)(=O)C1
InChIInChI=1S/C5H11NO2S.ClH/c6-2-1-5-3-9(7,8)4-5;/h5H,1-4,6H2;1H
InChIKeyNFKKYPVKQYFIMN-UHFFFAOYSA-N
MW185.68 g/mol
LogP-0.20
Rot. Bonds2

About 2-(1,1-dioxothietan-3-yl)ethanamine;hydrochloride

2-(1,1-dioxothietan-3-yl)ethanamine;hydrochloride (PubChem CID 75525617) has the molecular formula C5H12ClNO2S and a molecular weight of 185.68 g/mol. Its IUPAC name is 2-(1,1-dioxothietan-3-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(1,1-dioxothietan-3-yl)ethanamine;hydrochloride
PubChem CID75525617
Molecular FormulaC5H12ClNO2S
Molecular Weight185.68 g/mol
Exact Mass185.03
IUPAC Name2-(1,1-dioxothietan-3-yl)ethanamine;hydrochloride
SMILESCl.NCCC1CS(=O)(=O)C1
InChIInChI=1S/C5H11NO2S.ClH/c6-2-1-5-3-9(7,8)4-5;/h5H,1-4,6H2;1H
InChIKeyNFKKYPVKQYFIMN-UHFFFAOYSA-N
XLogP-0.20
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.68
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Aminomethyl)-1lambda6-thiolane-1,1-dione
CID 2772225
Methylsulfonylbutylamine
CID 191144
3-(Aminomethyl)-1lambda6-thiolane-1,1-dione hydrochloride
CID 11286884
3-(Aminomethyl)-1lambda6-thietane-1,1-dione
CID 84082942
3-(Aminomethyl)-1lambda6-thietane-1,1-dione hydrochloride
CID 86730691
2-(Aminomethyl)-1lambda6-thietane-1,1-dione hydrochloride
CID 75525735
3-(Methanesulfonylmethyl)cyclobutan-1-amine hydrochloride
CID 139026445
Rac-1-((1s,3s)-3-methanesulfonylcyclobutyl)methanamine hydrochloride
CID 146049187
3-(2-Aminoethyl)thietane 1,1-dioxide
CID 75525618
(1,1-Dioxothietan-2-yl)methanamine
CID 75525736
2-(1,1-Dioxothietan-3-yl)-2-fluoroethanamine
CID 105433384
3-(1,1-Dioxothietan-3-yl)-3-fluoropropan-1-amine
CID 105439417

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothietan-3-yl)ethanamine;hydrochloride?
The IUPAC name of 2-(1,1-dioxothietan-3-yl)ethanamine;hydrochloride (CID 75525617) is 2-(1,1-dioxothietan-3-yl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(1,1-dioxothietan-3-yl)ethanamine;hydrochloride?
The canonical SMILES for 2-(1,1-dioxothietan-3-yl)ethanamine;hydrochloride is Cl.NCCC1CS(=O)(=O)C1.
What is the InChIKey of 2-(1,1-dioxothietan-3-yl)ethanamine;hydrochloride?
The InChIKey is NFKKYPVKQYFIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2S.ClH/c6-2-1-5-3-9(7,8)4-5;/h5H,1-4,6H2;1H.
What are the key properties of 2-(1,1-dioxothietan-3-yl)ethanamine;hydrochloride?
2-(1,1-dioxothietan-3-yl)ethanamine;hydrochloride has a molecular weight of 185.68 g/mol, XLogP of -0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxothietan-3-yl)ethanamine;hydrochloride is sourced from PubChem (CID 75525617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).