1-(1,1-dioxothiolan-3-yl)-2-(oxan-4-yl)ethanamine

C11H21NO3S — CID 65019905

IUPAC1-(1,1-dioxothiolan-3-yl)-2-(oxan-4-yl)ethanamine
SMILESNC(CC1CCOCC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H21NO3S/c12-11(7-9-1-4-15-5-2-9)10-3-6-16(13,14)8-10/h9-11H,1-8,12H2
InChIKeyZRFFLPWGKZGTCI-UHFFFAOYSA-N
MW247.36 g/mol
LogP0.57
Rot. Bonds3

About 1-(1,1-dioxothiolan-3-yl)-2-(oxan-4-yl)ethanamine

1-(1,1-dioxothiolan-3-yl)-2-(oxan-4-yl)ethanamine (PubChem CID 65019905) has the molecular formula C11H21NO3S and a molecular weight of 247.36 g/mol. Its IUPAC name is 1-(1,1-dioxothiolan-3-yl)-2-(oxan-4-yl)ethanamine.

Molecular Properties

Compound Name1-(1,1-dioxothiolan-3-yl)-2-(oxan-4-yl)ethanamine
PubChem CID65019905
Molecular FormulaC11H21NO3S
Molecular Weight247.36 g/mol
Exact Mass247.12
IUPAC Name1-(1,1-dioxothiolan-3-yl)-2-(oxan-4-yl)ethanamine
SMILESNC(CC1CCOCC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H21NO3S/c12-11(7-9-1-4-15-5-2-9)10-3-6-16(13,14)8-10/h9-11H,1-8,12H2
InChIKeyZRFFLPWGKZGTCI-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

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Related Compounds

2-cyclobutyl-1-(1,1-dioxothiolan-3-yl)ethanamine
CID 115336614
3-[1-chloro-3-(oxan-4-yl)propan-2-yl]thiolane 1,1-dioxide
CID 66033295
2-(1,1-dioxothiolan-3-yl)-1-(oxan-3-yl)ethanamine
CID 107139034
1-cyclohexyl-2-(oxan-4-yl)ethanamine
CID 62600303
1-(1,1-dioxothiolan-3-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 79622150
1-(4-methylcyclohexyl)-2-(oxan-4-yl)ethanamine
CID 62604163
2-cyclohexyl-1-(oxan-4-yl)ethanamine
CID 65329431
1,2-bis(oxolan-3-yl)ethanamine
CID 103986754
1-(1,1-dioxothiolan-3-yl)-5,5,5-trifluoropentan-1-amine
CID 115517578
1-(4-tert-butylcyclohexyl)-2-(oxan-4-yl)ethanamine
CID 65402159
1-(oxan-4-yl)propan-2-amine
CID 21054632
(2S)-1-(oxan-4-yl)propan-2-amine
CID 94422387

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothiolan-3-yl)-2-(oxan-4-yl)ethanamine?
The IUPAC name of 1-(1,1-dioxothiolan-3-yl)-2-(oxan-4-yl)ethanamine (CID 65019905) is 1-(1,1-dioxothiolan-3-yl)-2-(oxan-4-yl)ethanamine.
What is the SMILES notation for 1-(1,1-dioxothiolan-3-yl)-2-(oxan-4-yl)ethanamine?
The canonical SMILES for 1-(1,1-dioxothiolan-3-yl)-2-(oxan-4-yl)ethanamine is NC(CC1CCOCC1)C1CCS(=O)(=O)C1.
What is the InChIKey of 1-(1,1-dioxothiolan-3-yl)-2-(oxan-4-yl)ethanamine?
The InChIKey is ZRFFLPWGKZGTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3S/c12-11(7-9-1-4-15-5-2-9)10-3-6-16(13,14)8-10/h9-11H,1-8,12H2.
What are the key properties of 1-(1,1-dioxothiolan-3-yl)-2-(oxan-4-yl)ethanamine?
1-(1,1-dioxothiolan-3-yl)-2-(oxan-4-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 1-(1,1-dioxothiolan-3-yl)-2-(oxan-4-yl)ethanamine is sourced from PubChem (CID 65019905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).