2-[(3R)-1,1-dioxothiolan-3-yl]-N-methylethanamine

C7H15NO2S — CID 94460979

IUPAC2-[(3R)-1,1-dioxothiolan-3-yl]-N-methylethanamine
SMILESCNCC[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C7H15NO2S/c1-8-4-2-7-3-5-11(9,10)6-7/h7-8H,2-6H2,1H3/t7-/m1/s1
InChIKeyWMITVLQWTQKVTK-SSDOTTSWSA-N
MW177.27 g/mol
LogP0.03
Rot. Bonds3

About 2-[(3R)-1,1-dioxothiolan-3-yl]-N-methylethanamine

2-[(3R)-1,1-dioxothiolan-3-yl]-N-methylethanamine (PubChem CID 94460979) has the molecular formula C7H15NO2S and a molecular weight of 177.27 g/mol. Its IUPAC name is 2-[(3R)-1,1-dioxothiolan-3-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[(3R)-1,1-dioxothiolan-3-yl]-N-methylethanamine
PubChem CID94460979
Molecular FormulaC7H15NO2S
Molecular Weight177.27 g/mol
Exact Mass177.08
IUPAC Name2-[(3R)-1,1-dioxothiolan-3-yl]-N-methylethanamine
SMILESCNCC[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C7H15NO2S/c1-8-4-2-7-3-5-11(9,10)6-7/h7-8H,2-6H2,1H3/t7-/m1/s1
InChIKeyWMITVLQWTQKVTK-SSDOTTSWSA-N
XLogP0.03
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3S)-1,1-dioxothiolan-3-yl]-N-methylethanamine
CID 94460980
methyl N-[2-(1,1-dioxothiolan-3-yl)ethyl]carbamate
CID 110722962
N-[(1,1-dioxothiolan-3-yl)methyl]-2-(methylamino)ethanesulfonamide
CID 62131099
N-[2-(1,1-dioxothiolan-3-yl)ethyl]-2,2-difluoroethanamine
CID 115407013
2-[(3S)-1,1-dioxothiolan-3-yl]ethanol
CID 39871724
4-(1,1-dioxothiolan-3-yl)-2-methylbutan-2-ol
CID 84739893
N-[(1,1-dioxothiolan-3-yl)methyl]-2-(methylamino)acetamide
CID 61058518
2-N-[2-(1,1-dioxothiolan-3-yl)ethyl]-1-N-(2-methoxyethyl)propane-1,2-diamine
CID 113407660
3-[(3S)-1,1-dioxothiolan-3-yl]propanenitrile
CID 52904792
1-cyclohexyl-3-[2-(1,1-dioxothiolan-3-yl)ethyl]urea
CID 110748171
3-(1,1-dioxothiolan-3-yl)-N-methoxypropanamide
CID 110421169
3-(2-nitroethyl)thiolane 1,1-dioxide
CID 105446926

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1,1-dioxothiolan-3-yl]-N-methylethanamine?
The IUPAC name of 2-[(3R)-1,1-dioxothiolan-3-yl]-N-methylethanamine (CID 94460979) is 2-[(3R)-1,1-dioxothiolan-3-yl]-N-methylethanamine.
What is the SMILES notation for 2-[(3R)-1,1-dioxothiolan-3-yl]-N-methylethanamine?
The canonical SMILES for 2-[(3R)-1,1-dioxothiolan-3-yl]-N-methylethanamine is CNCC[C@@H]1CCS(=O)(=O)C1.
What is the InChIKey of 2-[(3R)-1,1-dioxothiolan-3-yl]-N-methylethanamine?
The InChIKey is WMITVLQWTQKVTK-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H15NO2S/c1-8-4-2-7-3-5-11(9,10)6-7/h7-8H,2-6H2,1H3/t7-/m1/s1.
What are the key properties of 2-[(3R)-1,1-dioxothiolan-3-yl]-N-methylethanamine?
2-[(3R)-1,1-dioxothiolan-3-yl]-N-methylethanamine has a molecular weight of 177.27 g/mol, XLogP of 0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1,1-dioxothiolan-3-yl]-N-methylethanamine is sourced from PubChem (CID 94460979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).