2-[(1,1-dioxothiolan-3-yl)amino]ethanol;hydrochloride

C6H14ClNO3S — CID 16896370

IUPAC2-[(1,1-dioxothiolan-3-yl)amino]ethanol;hydrochloride
SMILESCl.O=S1(=O)CCC(NCCO)C1
InChIInChI=1S/C6H13NO3S.ClH/c8-3-2-7-6-1-4-11(9,10)5-6;/h6-8H,1-5H2;1H
InChIKeyDVLLSFLKNWESFH-UHFFFAOYSA-N
MW215.70 g/mol
LogP-0.82
Rot. Bonds3

About 2-[(1,1-dioxothiolan-3-yl)amino]ethanol;hydrochloride

2-[(1,1-dioxothiolan-3-yl)amino]ethanol;hydrochloride (PubChem CID 16896370) has the molecular formula C6H14ClNO3S and a molecular weight of 215.70 g/mol. Its IUPAC name is 2-[(1,1-dioxothiolan-3-yl)amino]ethanol;hydrochloride.

Molecular Properties

Compound Name2-[(1,1-dioxothiolan-3-yl)amino]ethanol;hydrochloride
PubChem CID16896370
Molecular FormulaC6H14ClNO3S
Molecular Weight215.70 g/mol
Exact Mass215.04
IUPAC Name2-[(1,1-dioxothiolan-3-yl)amino]ethanol;hydrochloride
SMILESCl.O=S1(=O)CCC(NCCO)C1
InChIInChI=1S/C6H13NO3S.ClH/c8-3-2-7-6-1-4-11(9,10)5-6;/h6-8H,1-5H2;1H
InChIKeyDVLLSFLKNWESFH-UHFFFAOYSA-N
XLogP-0.82
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.70
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-Hydroxyethyl)amino]tetrahydrothiophene-3-ol 1,1-dioxide
CID 3093516
3-((2-Hydroxyethyl)amino)tetrahydrothiophene 1,1-dioxide
CID 422971
4-(3-Dimethylamino-propylamino)-1,1-dioxo-tetrahydro-1lambda*6*-thiophen-3-ol hydrochloride
CID 9549543
4-Isobutylamino-1,1-dioxo-tetrahydro-1lambda*6*-thiophen-3-ol hydrochloride
CID 16187036
4-(3-Methoxy-propylamino)-1,1-dioxo-tetrahydro-1lambda*6*-thiophen-3-ol
CID 16187055
4-(3-Hydroxy-propylamino)-1,1-dioxo-tetrahydro-thiophen-3-ol
CID 653668
3-Hydroxy-4-[(methylethyl)amino]thiolane-1,1-dione
CID 2829778
3-[(1-Hydroxy-2-methylpropan-2-yl)amino]-1lambda6-thiolane-1,1-dione
CID 20312622
3-((2-Methoxyethyl)amino)-1lambda6-thiolane-1,1-dione hydrochloride
CID 16248004
(3S)-3-(hydroxymethyl)-1lambda6-thiomorpholine-1,1-dione hydrochloride
CID 137943268
(3R)-3-(hydroxymethyl)-1lambda6-thiomorpholine-1,1-dione hydrochloride
CID 165980642
4-Isobutylamino-1,1-dioxo-tetrahydrothiophen-3-ol
CID 3131600

Frequently Asked Questions

What is the IUPAC name of 2-[(1,1-dioxothiolan-3-yl)amino]ethanol;hydrochloride?
The IUPAC name of 2-[(1,1-dioxothiolan-3-yl)amino]ethanol;hydrochloride (CID 16896370) is 2-[(1,1-dioxothiolan-3-yl)amino]ethanol;hydrochloride.
What is the SMILES notation for 2-[(1,1-dioxothiolan-3-yl)amino]ethanol;hydrochloride?
The canonical SMILES for 2-[(1,1-dioxothiolan-3-yl)amino]ethanol;hydrochloride is Cl.O=S1(=O)CCC(NCCO)C1.
What is the InChIKey of 2-[(1,1-dioxothiolan-3-yl)amino]ethanol;hydrochloride?
The InChIKey is DVLLSFLKNWESFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3S.ClH/c8-3-2-7-6-1-4-11(9,10)5-6;/h6-8H,1-5H2;1H.
What are the key properties of 2-[(1,1-dioxothiolan-3-yl)amino]ethanol;hydrochloride?
2-[(1,1-dioxothiolan-3-yl)amino]ethanol;hydrochloride has a molecular weight of 215.70 g/mol, XLogP of -0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,1-dioxothiolan-3-yl)amino]ethanol;hydrochloride is sourced from PubChem (CID 16896370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).