2-(3,3-dimethylmorpholin-4-yl)-2-(thiolan-3-yl)ethanamine

C12H24N2OS — CID 107132650

IUPAC2-(3,3-dimethylmorpholin-4-yl)-2-(thiolan-3-yl)ethanamine
SMILESCC1(C)COCCN1C(CN)C1CCSC1
InChIInChI=1S/C12H24N2OS/c1-12(2)9-15-5-4-14(12)11(7-13)10-3-6-16-8-10/h10-11H,3-9,13H2,1-2H3
InChIKeyUMRMDZBBKJGNJH-UHFFFAOYSA-N
MW244.40 g/mol
LogP1.18
Rot. Bonds3

About 2-(3,3-dimethylmorpholin-4-yl)-2-(thiolan-3-yl)ethanamine

2-(3,3-dimethylmorpholin-4-yl)-2-(thiolan-3-yl)ethanamine (PubChem CID 107132650) has the molecular formula C12H24N2OS and a molecular weight of 244.40 g/mol. Its IUPAC name is 2-(3,3-dimethylmorpholin-4-yl)-2-(thiolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(3,3-dimethylmorpholin-4-yl)-2-(thiolan-3-yl)ethanamine
PubChem CID107132650
Molecular FormulaC12H24N2OS
Molecular Weight244.40 g/mol
Exact Mass244.16
IUPAC Name2-(3,3-dimethylmorpholin-4-yl)-2-(thiolan-3-yl)ethanamine
SMILESCC1(C)COCCN1C(CN)C1CCSC1
InChIInChI=1S/C12H24N2OS/c1-12(2)9-15-5-4-14(12)11(7-13)10-3-6-16-8-10/h10-11H,3-9,13H2,1-2H3
InChIKeyUMRMDZBBKJGNJH-UHFFFAOYSA-N
XLogP1.18
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.40
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methylthiomorpholin-4-yl)-2-(thiolan-3-yl)ethanamine
CID 107132759
3-amino-2-(3,3-dimethylmorpholin-4-yl)propan-1-ol
CID 104710885
2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-(thiolan-3-yl)ethanamine
CID 107132688
4-amino-3-(3,3-dimethylmorpholin-4-yl)butanamide
CID 66426683
2-(2,5-dimethylpiperidin-1-yl)-2-(thiolan-3-yl)ethanamine
CID 107132808
2-(3,3-dimethylmorpholin-4-yl)-2-phenylethanamine
CID 61429869
1-(3,3-dimethylmorpholin-4-yl)ethanol
CID 141129564
2-(3,3-dimethylmorpholin-4-yl)-3-(2-methoxyethoxy)propan-1-amine
CID 112752590
2-(thiolan-3-yl)butan-1-amine
CID 82596112
2-(3,3-dimethylmorpholin-4-yl)-2-(4-propan-2-yloxyphenyl)ethanamine
CID 61429670
3-(3,3-dimethylmorpholin-4-yl)-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 81019120
3-(3,3-dimethylmorpholin-4-yl)-2-methylpropan-1-amine
CID 61430007

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylmorpholin-4-yl)-2-(thiolan-3-yl)ethanamine?
The IUPAC name of 2-(3,3-dimethylmorpholin-4-yl)-2-(thiolan-3-yl)ethanamine (CID 107132650) is 2-(3,3-dimethylmorpholin-4-yl)-2-(thiolan-3-yl)ethanamine.
What is the SMILES notation for 2-(3,3-dimethylmorpholin-4-yl)-2-(thiolan-3-yl)ethanamine?
The canonical SMILES for 2-(3,3-dimethylmorpholin-4-yl)-2-(thiolan-3-yl)ethanamine is CC1(C)COCCN1C(CN)C1CCSC1.
What is the InChIKey of 2-(3,3-dimethylmorpholin-4-yl)-2-(thiolan-3-yl)ethanamine?
The InChIKey is UMRMDZBBKJGNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2OS/c1-12(2)9-15-5-4-14(12)11(7-13)10-3-6-16-8-10/h10-11H,3-9,13H2,1-2H3.
What are the key properties of 2-(3,3-dimethylmorpholin-4-yl)-2-(thiolan-3-yl)ethanamine?
2-(3,3-dimethylmorpholin-4-yl)-2-(thiolan-3-yl)ethanamine has a molecular weight of 244.40 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylmorpholin-4-yl)-2-(thiolan-3-yl)ethanamine is sourced from PubChem (CID 107132650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).