1-(1,1-dioxothiolan-3-yl)-2-(methylamino)ethanol

C7H15NO3S — CID 82279875

IUPAC1-(1,1-dioxothiolan-3-yl)-2-(methylamino)ethanol
SMILESCNCC(O)C1CCS(=O)(=O)C1
InChIInChI=1S/C7H15NO3S/c1-8-4-7(9)6-2-3-12(10,11)5-6/h6-9H,2-5H2,1H3
InChIKeySCCPZYNRWKKRKB-UHFFFAOYSA-N
MW193.27 g/mol
LogP-1.00
Rot. Bonds3

About 1-(1,1-dioxothiolan-3-yl)-2-(methylamino)ethanol

1-(1,1-dioxothiolan-3-yl)-2-(methylamino)ethanol (PubChem CID 82279875) has the molecular formula C7H15NO3S and a molecular weight of 193.27 g/mol. Its IUPAC name is 1-(1,1-dioxothiolan-3-yl)-2-(methylamino)ethanol.

Molecular Properties

Compound Name1-(1,1-dioxothiolan-3-yl)-2-(methylamino)ethanol
PubChem CID82279875
Molecular FormulaC7H15NO3S
Molecular Weight193.27 g/mol
Exact Mass193.08
IUPAC Name1-(1,1-dioxothiolan-3-yl)-2-(methylamino)ethanol
SMILESCNCC(O)C1CCS(=O)(=O)C1
InChIInChI=1S/C7H15NO3S/c1-8-4-7(9)6-2-3-12(10,11)5-6/h6-9H,2-5H2,1H3
InChIKeySCCPZYNRWKKRKB-UHFFFAOYSA-N
XLogP-1.00
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 5-1.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,1-dioxothiolan-3-yl)-N,3,3-trimethylbutan-1-amine
CID 83139103
2-(1,1-dioxothiolan-3-yl)-N-methyl-4-methylsulfonylbutan-1-amine
CID 62530846
1-(1,1-dioxothiolan-3-yl)hex-4-yn-1-ol
CID 104804177
2-(1,1-dioxothiolan-3-yl)-6-methoxy-N-methylhexan-1-amine
CID 113437124
2-(cyclopropylamino)-1-(1,1-dioxothian-4-yl)ethanol
CID 117238530
3-(1,1-dioxothiolan-3-yl)-4-methylpentan-2-ol
CID 62913879
2-(cyclobutylamino)-1-(1,1-dioxothian-4-yl)ethanol
CID 117238543
2-(2-chlorophenyl)-2-(1,1-dioxothiolan-3-yl)-N-methylethanamine
CID 79448612
2-(1,1-dioxothiolan-3-yl)-2-(2-fluorophenyl)-N-methylethanamine
CID 79439602
1-[(1,1-dioxothiolan-3-yl)-ethylamino]-3-(methylamino)propan-2-ol
CID 112501231
2-(1,1-dioxothiolan-3-yl)propanoic acid
CID 57370502
2-(1,1-dioxothiolan-3-yl)-N-methyl-4-phenoxybutan-1-amine
CID 62528237

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothiolan-3-yl)-2-(methylamino)ethanol?
The IUPAC name of 1-(1,1-dioxothiolan-3-yl)-2-(methylamino)ethanol (CID 82279875) is 1-(1,1-dioxothiolan-3-yl)-2-(methylamino)ethanol.
What is the SMILES notation for 1-(1,1-dioxothiolan-3-yl)-2-(methylamino)ethanol?
The canonical SMILES for 1-(1,1-dioxothiolan-3-yl)-2-(methylamino)ethanol is CNCC(O)C1CCS(=O)(=O)C1.
What is the InChIKey of 1-(1,1-dioxothiolan-3-yl)-2-(methylamino)ethanol?
The InChIKey is SCCPZYNRWKKRKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3S/c1-8-4-7(9)6-2-3-12(10,11)5-6/h6-9H,2-5H2,1H3.
What are the key properties of 1-(1,1-dioxothiolan-3-yl)-2-(methylamino)ethanol?
1-(1,1-dioxothiolan-3-yl)-2-(methylamino)ethanol has a molecular weight of 193.27 g/mol, XLogP of -1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothiolan-3-yl)-2-(methylamino)ethanol is sourced from PubChem (CID 82279875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).