[(2S,3S)-1-[(2R,5R)-2,5-dimethylmorpholin-4-yl]sulfonyl-3-methylpiperidin-2-yl]methanamine

C13H27N3O3S — CID 125145965

IUPAC[(2S,3S)-1-[(2R,5R)-2,5-dimethylmorpholin-4-yl]sulfonyl-3-methylpiperidin-2-yl]methanamine
SMILESC[C@@H]1CN(S(=O)(=O)N2CCC[C@H](C)[C@H]2CN)[C@H](C)CO1
InChIInChI=1S/C13H27N3O3S/c1-10-5-4-6-15(13(10)7-14)20(17,18)16-8-12(3)19-9-11(16)2/h10-13H,4-9,14H2,1-3H3/t10-,11+,12+,13+/m0/s1
InChIKeyATMYTQDOYWUOHP-UMSGYPCISA-N
MW305.44 g/mol
LogP0.40
Rot. Bonds3

About [(2S,3S)-1-[(2R,5R)-2,5-dimethylmorpholin-4-yl]sulfonyl-3-methylpiperidin-2-yl]methanamine

[(2S,3S)-1-[(2R,5R)-2,5-dimethylmorpholin-4-yl]sulfonyl-3-methylpiperidin-2-yl]methanamine (PubChem CID 125145965) has the molecular formula C13H27N3O3S and a molecular weight of 305.44 g/mol. Its IUPAC name is [(2S,3S)-1-[(2R,5R)-2,5-dimethylmorpholin-4-yl]sulfonyl-3-methylpiperidin-2-yl]methanamine.

Molecular Properties

Compound Name[(2S,3S)-1-[(2R,5R)-2,5-dimethylmorpholin-4-yl]sulfonyl-3-methylpiperidin-2-yl]methanamine
PubChem CID125145965
Molecular FormulaC13H27N3O3S
Molecular Weight305.44 g/mol
Exact Mass305.18
IUPAC Name[(2S,3S)-1-[(2R,5R)-2,5-dimethylmorpholin-4-yl]sulfonyl-3-methylpiperidin-2-yl]methanamine
SMILESC[C@@H]1CN(S(=O)(=O)N2CCC[C@H](C)[C@H]2CN)[C@H](C)CO1
InChIInChI=1S/C13H27N3O3S/c1-10-5-4-6-15(13(10)7-14)20(17,18)16-8-12(3)19-9-11(16)2/h10-13H,4-9,14H2,1-3H3/t10-,11+,12+,13+/m0/s1
InChIKeyATMYTQDOYWUOHP-UMSGYPCISA-N
XLogP0.40
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-1-[(2R,5R)-2,5-dimethylmorpholin-4-yl]sulfonyl-3-methylpiperidin-2-yl]methanamine?
The IUPAC name of [(2S,3S)-1-[(2R,5R)-2,5-dimethylmorpholin-4-yl]sulfonyl-3-methylpiperidin-2-yl]methanamine (CID 125145965) is [(2S,3S)-1-[(2R,5R)-2,5-dimethylmorpholin-4-yl]sulfonyl-3-methylpiperidin-2-yl]methanamine.
What is the SMILES notation for [(2S,3S)-1-[(2R,5R)-2,5-dimethylmorpholin-4-yl]sulfonyl-3-methylpiperidin-2-yl]methanamine?
The canonical SMILES for [(2S,3S)-1-[(2R,5R)-2,5-dimethylmorpholin-4-yl]sulfonyl-3-methylpiperidin-2-yl]methanamine is C[C@@H]1CN(S(=O)(=O)N2CCC[C@H](C)[C@H]2CN)[C@H](C)CO1.
What is the InChIKey of [(2S,3S)-1-[(2R,5R)-2,5-dimethylmorpholin-4-yl]sulfonyl-3-methylpiperidin-2-yl]methanamine?
The InChIKey is ATMYTQDOYWUOHP-UMSGYPCISA-N. The full InChI is InChI=1S/C13H27N3O3S/c1-10-5-4-6-15(13(10)7-14)20(17,18)16-8-12(3)19-9-11(16)2/h10-13H,4-9,14H2,1-3H3/t10-,11+,12+,13+/m0/s1.
What are the key properties of [(2S,3S)-1-[(2R,5R)-2,5-dimethylmorpholin-4-yl]sulfonyl-3-methylpiperidin-2-yl]methanamine?
[(2S,3S)-1-[(2R,5R)-2,5-dimethylmorpholin-4-yl]sulfonyl-3-methylpiperidin-2-yl]methanamine has a molecular weight of 305.44 g/mol, XLogP of 0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-1-[(2R,5R)-2,5-dimethylmorpholin-4-yl]sulfonyl-3-methylpiperidin-2-yl]methanamine is sourced from PubChem (CID 125145965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).