7-[(2,2-dimethylthiomorpholin-4-yl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine

C16H30N2OS — CID 114948383

IUPAC7-[(2,2-dimethylthiomorpholin-4-yl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
SMILESCC1(C)CN(CC2(N)C3CCCOC3C2(C)C)CCS1
InChIInChI=1S/C16H30N2OS/c1-14(2)10-18(7-9-20-14)11-16(17)12-6-5-8-19-13(12)15(16,3)4/h12-13H,5-11,17H2,1-4H3
InChIKeyGLYNSGVTSFMQQQ-UHFFFAOYSA-N
MW298.50 g/mol
LogP2.35
Rot. Bonds2

About 7-[(2,2-dimethylthiomorpholin-4-yl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine

7-[(2,2-dimethylthiomorpholin-4-yl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine (PubChem CID 114948383) has the molecular formula C16H30N2OS and a molecular weight of 298.50 g/mol. Its IUPAC name is 7-[(2,2-dimethylthiomorpholin-4-yl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine.

Molecular Properties

Compound Name7-[(2,2-dimethylthiomorpholin-4-yl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
PubChem CID114948383
Molecular FormulaC16H30N2OS
Molecular Weight298.50 g/mol
Exact Mass298.21
IUPAC Name7-[(2,2-dimethylthiomorpholin-4-yl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
SMILESCC1(C)CN(CC2(N)C3CCCOC3C2(C)C)CCS1
InChIInChI=1S/C16H30N2OS/c1-14(2)10-18(7-9-20-14)11-16(17)12-6-5-8-19-13(12)15(16,3)4/h12-13H,5-11,17H2,1-4H3
InChIKeyGLYNSGVTSFMQQQ-UHFFFAOYSA-N
XLogP2.35
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.50
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-[(2,2-dimethylthiomorpholin-4-yl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine with MolForge

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Launch Full Analysis

Related Compounds

6-(azocan-1-ylmethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 114947214
8,8-dimethyl-7-(1,4-oxazepan-4-ylmethyl)-2-oxabicyclo[4.2.0]octan-7-amine
CID 114947899
8,8-dimethyl-7-[(4-methyl-1,4-diazepan-1-yl)methyl]-2-oxabicyclo[4.2.0]octan-7-amine
CID 114947205
7-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 104985317
7-[(2-ethylazepan-1-yl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 114948331
6-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 114947930
6-[(3-ethylpiperidin-1-yl)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 114947307
6-[(3,5-dimethylpiperidin-1-yl)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 114947174
7,7-dimethyl-6-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
CID 114947914
7,7-dimethyl-6-[(3-propylpyrrolidin-1-yl)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
CID 114948330
7-[(3-ethylmorpholin-4-yl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 114947324
6-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 114947983

Frequently Asked Questions

What is the IUPAC name of 7-[(2,2-dimethylthiomorpholin-4-yl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine?
The IUPAC name of 7-[(2,2-dimethylthiomorpholin-4-yl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine (CID 114948383) is 7-[(2,2-dimethylthiomorpholin-4-yl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine.
What is the SMILES notation for 7-[(2,2-dimethylthiomorpholin-4-yl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine?
The canonical SMILES for 7-[(2,2-dimethylthiomorpholin-4-yl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine is CC1(C)CN(CC2(N)C3CCCOC3C2(C)C)CCS1.
What is the InChIKey of 7-[(2,2-dimethylthiomorpholin-4-yl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine?
The InChIKey is GLYNSGVTSFMQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2OS/c1-14(2)10-18(7-9-20-14)11-16(17)12-6-5-8-19-13(12)15(16,3)4/h12-13H,5-11,17H2,1-4H3.
What are the key properties of 7-[(2,2-dimethylthiomorpholin-4-yl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine?
7-[(2,2-dimethylthiomorpholin-4-yl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine has a molecular weight of 298.50 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2,2-dimethylthiomorpholin-4-yl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine is sourced from PubChem (CID 114948383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).