[5,5-dimethyl-3-(2,2,6-trimethylmorpholin-4-yl)thian-3-yl]methanamine

C15H30N2OS — CID 79958109

IUPAC[5,5-dimethyl-3-(2,2,6-trimethylmorpholin-4-yl)thian-3-yl]methanamine
SMILESCC1CN(C2(CN)CSCC(C)(C)C2)CC(C)(C)O1
InChIInChI=1S/C15H30N2OS/c1-12-6-17(9-14(4,5)18-12)15(8-16)7-13(2,3)10-19-11-15/h12H,6-11,16H2,1-5H3
InChIKeyAHMGSBKVDYMNIA-UHFFFAOYSA-N
MW286.48 g/mol
LogP2.35
Rot. Bonds2

About [5,5-dimethyl-3-(2,2,6-trimethylmorpholin-4-yl)thian-3-yl]methanamine

[5,5-dimethyl-3-(2,2,6-trimethylmorpholin-4-yl)thian-3-yl]methanamine (PubChem CID 79958109) has the molecular formula C15H30N2OS and a molecular weight of 286.48 g/mol. Its IUPAC name is [5,5-dimethyl-3-(2,2,6-trimethylmorpholin-4-yl)thian-3-yl]methanamine.

Molecular Properties

Compound Name[5,5-dimethyl-3-(2,2,6-trimethylmorpholin-4-yl)thian-3-yl]methanamine
PubChem CID79958109
Molecular FormulaC15H30N2OS
Molecular Weight286.48 g/mol
Exact Mass286.21
IUPAC Name[5,5-dimethyl-3-(2,2,6-trimethylmorpholin-4-yl)thian-3-yl]methanamine
SMILESCC1CN(C2(CN)CSCC(C)(C)C2)CC(C)(C)O1
InChIInChI=1S/C15H30N2OS/c1-12-6-17(9-14(4,5)18-12)15(8-16)7-13(2,3)10-19-11-15/h12H,6-11,16H2,1-5H3
InChIKeyAHMGSBKVDYMNIA-UHFFFAOYSA-N
XLogP2.35
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.48
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5,5-dimethyl-3-(2,2,6-trimethylmorpholin-4-yl)thian-3-yl]methanamine?
The IUPAC name of [5,5-dimethyl-3-(2,2,6-trimethylmorpholin-4-yl)thian-3-yl]methanamine (CID 79958109) is [5,5-dimethyl-3-(2,2,6-trimethylmorpholin-4-yl)thian-3-yl]methanamine.
What is the SMILES notation for [5,5-dimethyl-3-(2,2,6-trimethylmorpholin-4-yl)thian-3-yl]methanamine?
The canonical SMILES for [5,5-dimethyl-3-(2,2,6-trimethylmorpholin-4-yl)thian-3-yl]methanamine is CC1CN(C2(CN)CSCC(C)(C)C2)CC(C)(C)O1.
What is the InChIKey of [5,5-dimethyl-3-(2,2,6-trimethylmorpholin-4-yl)thian-3-yl]methanamine?
The InChIKey is AHMGSBKVDYMNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2OS/c1-12-6-17(9-14(4,5)18-12)15(8-16)7-13(2,3)10-19-11-15/h12H,6-11,16H2,1-5H3.
What are the key properties of [5,5-dimethyl-3-(2,2,6-trimethylmorpholin-4-yl)thian-3-yl]methanamine?
[5,5-dimethyl-3-(2,2,6-trimethylmorpholin-4-yl)thian-3-yl]methanamine has a molecular weight of 286.48 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 [5,5-dimethyl-3-(2,2,6-trimethylmorpholin-4-yl)thian-3-yl]methanamine is sourced from PubChem (CID 79958109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).