2-(1,1-dioxothiolan-3-yl)-1-(oxan-3-yl)ethanamine

C11H21NO3S — CID 107139034

IUPAC2-(1,1-dioxothiolan-3-yl)-1-(oxan-3-yl)ethanamine
SMILESNC(CC1CCS(=O)(=O)C1)C1CCCOC1
InChIInChI=1S/C11H21NO3S/c12-11(10-2-1-4-15-7-10)6-9-3-5-16(13,14)8-9/h9-11H,1-8,12H2
InChIKeyLVJVXFGZHDCTJN-UHFFFAOYSA-N
MW247.36 g/mol
LogP0.57
Rot. Bonds3

About 2-(1,1-dioxothiolan-3-yl)-1-(oxan-3-yl)ethanamine

2-(1,1-dioxothiolan-3-yl)-1-(oxan-3-yl)ethanamine (PubChem CID 107139034) has the molecular formula C11H21NO3S and a molecular weight of 247.36 g/mol. Its IUPAC name is 2-(1,1-dioxothiolan-3-yl)-1-(oxan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(1,1-dioxothiolan-3-yl)-1-(oxan-3-yl)ethanamine
PubChem CID107139034
Molecular FormulaC11H21NO3S
Molecular Weight247.36 g/mol
Exact Mass247.12
IUPAC Name2-(1,1-dioxothiolan-3-yl)-1-(oxan-3-yl)ethanamine
SMILESNC(CC1CCS(=O)(=O)C1)C1CCCOC1
InChIInChI=1S/C11H21NO3S/c12-11(10-2-1-4-15-7-10)6-9-3-5-16(13,14)8-9/h9-11H,1-8,12H2
InChIKeyLVJVXFGZHDCTJN-UHFFFAOYSA-N
XLogP0.57
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(1,1-dioxothiolan-3-yl)-1-(oxan-3-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1,1-dioxothiolan-3-yl)-2-(oxan-4-yl)ethanamine
CID 65019905
2-cyclobutyl-1-(1,1-dioxothiolan-3-yl)ethanamine
CID 115336614
[1-cycloheptyl-2-(1,1-dioxothiolan-3-yl)ethyl]hydrazine
CID 105330653
1,2-bis(oxolan-3-yl)ethanamine
CID 103986754
(1R)-1-[(3S)-oxan-3-yl]propan-1-amine
CID 96636720
3-methyl-1-(oxan-3-yl)butan-1-amine
CID 65331695
1-cyclopentyl-3-(1,1-dioxothiolan-3-yl)propan-2-ol
CID 105090384
4-amino-4-(oxan-3-yl)butanoic acid
CID 82602426
2-(2-bicyclo[2.2.1]heptanyl)-1-(oxan-3-yl)ethanamine
CID 79562690
bis(oxan-3-yl)methanamine
CID 107136437
(2S)-2-amino-2-(oxan-3-yl)acetic acid
CID 107134850
(1S)-1-[(3R)-oxan-3-yl]ethanamine
CID 96637700

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothiolan-3-yl)-1-(oxan-3-yl)ethanamine?
The IUPAC name of 2-(1,1-dioxothiolan-3-yl)-1-(oxan-3-yl)ethanamine (CID 107139034) is 2-(1,1-dioxothiolan-3-yl)-1-(oxan-3-yl)ethanamine.
What is the SMILES notation for 2-(1,1-dioxothiolan-3-yl)-1-(oxan-3-yl)ethanamine?
The canonical SMILES for 2-(1,1-dioxothiolan-3-yl)-1-(oxan-3-yl)ethanamine is NC(CC1CCS(=O)(=O)C1)C1CCCOC1.
What is the InChIKey of 2-(1,1-dioxothiolan-3-yl)-1-(oxan-3-yl)ethanamine?
The InChIKey is LVJVXFGZHDCTJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3S/c12-11(10-2-1-4-15-7-10)6-9-3-5-16(13,14)8-9/h9-11H,1-8,12H2.
What are the key properties of 2-(1,1-dioxothiolan-3-yl)-1-(oxan-3-yl)ethanamine?
2-(1,1-dioxothiolan-3-yl)-1-(oxan-3-yl)ethanamine has a molecular weight of 247.36 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxothiolan-3-yl)-1-(oxan-3-yl)ethanamine is sourced from PubChem (CID 107139034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).