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

C6H13NO3S — CID 7058904

IUPAC2-[[(3S)-1,1-dioxothiolan-3-yl]amino]ethanol
SMILESO=S1(=O)CC[C@H](NCCO)C1
InChIInChI=1S/C6H13NO3S/c8-3-2-7-6-1-4-11(9,10)5-6/h6-8H,1-5H2/t6-/m0/s1
InChIKeyMPACUVIDHVFZBK-LURJTMIESA-N
MW179.24 g/mol
LogP-1.24
Rot. Bonds3

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

2-[[(3S)-1,1-dioxothiolan-3-yl]amino]ethanol (PubChem CID 7058904) has the molecular formula C6H13NO3S and a molecular weight of 179.24 g/mol. Its IUPAC name is 2-[[(3S)-1,1-dioxothiolan-3-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[(3S)-1,1-dioxothiolan-3-yl]amino]ethanol
PubChem CID7058904
Molecular FormulaC6H13NO3S
Molecular Weight179.24 g/mol
Exact Mass179.06
IUPAC Name2-[[(3S)-1,1-dioxothiolan-3-yl]amino]ethanol
SMILESO=S1(=O)CC[C@H](NCCO)C1
InChIInChI=1S/C6H13NO3S/c8-3-2-7-6-1-4-11(9,10)5-6/h6-8H,1-5H2/t6-/m0/s1
InChIKeyMPACUVIDHVFZBK-LURJTMIESA-N
XLogP-1.24
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 5-1.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-[(1,1-dioxothiolan-3-yl)amino]ethylsulfanyl]propan-1-ol
CID 104868554
N'-(1,1-dioxothiolan-3-yl)ethane-1,2-diamine
CID 2772236
N'-(1,1-dioxothiolan-3-yl)ethane-1,2-diamine;hydrochloride
CID 146012772
N-(3-fluoropropyl)-1,1-dioxothiolan-3-amine
CID 81105550
N-(3,3-dimethylbutyl)-1,1-dioxothiolan-3-amine
CID 60683378
magnesium bis(N-[2-[(1,1-dioxothiolan-3-yl)amino]ethyl]carbamodithioate)
CID 24940438
N-[2-(1,1-dioxothiolan-3-yl)oxyethyl]-1,1-dioxothiolan-3-amine
CID 46398595
3-[(1,1-dioxothiolan-3-yl)amino]-2,2-difluoropropan-1-ol
CID 104862624
N-tert-butyl-3-[(1,1-dioxothiolan-3-yl)amino]propanamide
CID 112688507
2-[2-[(1,1-dioxothiolan-3-yl)amino]ethoxy]acetamide
CID 106236546
N-[(1,1-dioxothiolan-3-yl)methyl]-1,1-dioxothiolan-3-amine
CID 61057897
1,1-dioxo-N-(2-propylsulfonylethyl)thiolan-3-amine
CID 106513325

Frequently Asked Questions

What is the IUPAC name of 2-[[(3S)-1,1-dioxothiolan-3-yl]amino]ethanol?
The IUPAC name of 2-[[(3S)-1,1-dioxothiolan-3-yl]amino]ethanol (CID 7058904) is 2-[[(3S)-1,1-dioxothiolan-3-yl]amino]ethanol.
What is the SMILES notation for 2-[[(3S)-1,1-dioxothiolan-3-yl]amino]ethanol?
The canonical SMILES for 2-[[(3S)-1,1-dioxothiolan-3-yl]amino]ethanol is O=S1(=O)CC[C@H](NCCO)C1.
What is the InChIKey of 2-[[(3S)-1,1-dioxothiolan-3-yl]amino]ethanol?
The InChIKey is MPACUVIDHVFZBK-LURJTMIESA-N. The full InChI is InChI=1S/C6H13NO3S/c8-3-2-7-6-1-4-11(9,10)5-6/h6-8H,1-5H2/t6-/m0/s1.
What are the key properties of 2-[[(3S)-1,1-dioxothiolan-3-yl]amino]ethanol?
2-[[(3S)-1,1-dioxothiolan-3-yl]amino]ethanol has a molecular weight of 179.24 g/mol, XLogP of -1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3S)-1,1-dioxothiolan-3-yl]amino]ethanol is sourced from PubChem (CID 7058904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).