N-methyl-N-(methylsulfanylmethyl)-2-[(2R)-4-pentylmorpholin-2-yl]ethanamine

C14H30N2OS — CID 138727292

IUPACN-methyl-N-(methylsulfanylmethyl)-2-[(2R)-4-pentylmorpholin-2-yl]ethanamine
SMILESCCCCCN1CCO[C@H](CCN(C)CSC)C1
InChIInChI=1S/C14H30N2OS/c1-4-5-6-8-16-10-11-17-14(12-16)7-9-15(2)13-18-3/h14H,4-13H2,1-3H3/t14-/m1/s1
InChIKeyXFLXRHASHRVYAM-CQSZACIVSA-N
MW274.47 g/mol
LogP2.52
Rot. Bonds9

About N-methyl-N-(methylsulfanylmethyl)-2-[(2R)-4-pentylmorpholin-2-yl]ethanamine

N-methyl-N-(methylsulfanylmethyl)-2-[(2R)-4-pentylmorpholin-2-yl]ethanamine (PubChem CID 138727292) has the molecular formula C14H30N2OS and a molecular weight of 274.47 g/mol. Its IUPAC name is N-methyl-N-(methylsulfanylmethyl)-2-[(2R)-4-pentylmorpholin-2-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-N-(methylsulfanylmethyl)-2-[(2R)-4-pentylmorpholin-2-yl]ethanamine
PubChem CID138727292
Molecular FormulaC14H30N2OS
Molecular Weight274.47 g/mol
Exact Mass274.21
IUPAC NameN-methyl-N-(methylsulfanylmethyl)-2-[(2R)-4-pentylmorpholin-2-yl]ethanamine
SMILESCCCCCN1CCO[C@H](CCN(C)CSC)C1
InChIInChI=1S/C14H30N2OS/c1-4-5-6-8-16-10-11-17-14(12-16)7-9-15(2)13-18-3/h14H,4-13H2,1-3H3/t14-/m1/s1
InChIKeyXFLXRHASHRVYAM-CQSZACIVSA-N
XLogP2.52
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.47
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(methylsulfanylmethyl)-2-[(2R)-4-pentylmorpholin-2-yl]ethanamine?
The IUPAC name of N-methyl-N-(methylsulfanylmethyl)-2-[(2R)-4-pentylmorpholin-2-yl]ethanamine (CID 138727292) is N-methyl-N-(methylsulfanylmethyl)-2-[(2R)-4-pentylmorpholin-2-yl]ethanamine.
What is the SMILES notation for N-methyl-N-(methylsulfanylmethyl)-2-[(2R)-4-pentylmorpholin-2-yl]ethanamine?
The canonical SMILES for N-methyl-N-(methylsulfanylmethyl)-2-[(2R)-4-pentylmorpholin-2-yl]ethanamine is CCCCCN1CCO[C@H](CCN(C)CSC)C1.
What is the InChIKey of N-methyl-N-(methylsulfanylmethyl)-2-[(2R)-4-pentylmorpholin-2-yl]ethanamine?
The InChIKey is XFLXRHASHRVYAM-CQSZACIVSA-N. The full InChI is InChI=1S/C14H30N2OS/c1-4-5-6-8-16-10-11-17-14(12-16)7-9-15(2)13-18-3/h14H,4-13H2,1-3H3/t14-/m1/s1.
What are the key properties of N-methyl-N-(methylsulfanylmethyl)-2-[(2R)-4-pentylmorpholin-2-yl]ethanamine?
N-methyl-N-(methylsulfanylmethyl)-2-[(2R)-4-pentylmorpholin-2-yl]ethanamine has a molecular weight of 274.47 g/mol, XLogP of 2.52, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(methylsulfanylmethyl)-2-[(2R)-4-pentylmorpholin-2-yl]ethanamine is sourced from PubChem (CID 138727292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).