N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-thiophen-3-ylethanamine

C14H24N2OS — CID 104961122

IUPACN-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-thiophen-3-ylethanamine
SMILESC[C@@H]1CN(CCNCCc2ccsc2)C[C@H](C)O1
InChIInChI=1S/C14H24N2OS/c1-12-9-16(10-13(2)17-12)7-6-15-5-3-14-4-8-18-11-14/h4,8,11-13,15H,3,5-7,9-10H2,1-2H3/t12-,13+
InChIKeySKSDEYYMFFAFOQ-BETUJISGSA-N
MW268.43 g/mol
LogP1.99
Rot. Bonds6

About N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-thiophen-3-ylethanamine

N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-thiophen-3-ylethanamine (PubChem CID 104961122) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-thiophen-3-ylethanamine.

Molecular Properties

Compound NameN-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-thiophen-3-ylethanamine
PubChem CID104961122
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC NameN-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-thiophen-3-ylethanamine
SMILESC[C@@H]1CN(CCNCCc2ccsc2)C[C@H](C)O1
InChIInChI=1S/C14H24N2OS/c1-12-9-16(10-13(2)17-12)7-6-15-5-3-14-4-8-18-11-14/h4,8,11-13,15H,3,5-7,9-10H2,1-2H3/t12-,13+
InChIKeySKSDEYYMFFAFOQ-BETUJISGSA-N
XLogP1.99
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-propylpiperazin-1-yl)ethyl]-2-thiophen-3-ylethanamine
CID 62574291
N-[2-(2,2,6,6-tetramethylmorpholin-4-yl)ethyl]-2-thiophen-3-ylethanamine
CID 102746120
N-[2-(3-methoxypiperidin-1-yl)ethyl]-2-thiophen-3-ylethanamine
CID 102968363
N-[2-(2-methylpyrrolidin-1-yl)ethyl]-2-thiophen-3-ylethanamine
CID 62576069
N-[2-(2,3-dimethylpiperidin-1-yl)ethyl]-2-thiophen-3-ylethanamine
CID 62560301
N-[2-(4,4-dimethylazepan-1-yl)ethyl]-2-thiophen-3-ylethanamine
CID 65286725
N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]propan-1-amine
CID 53215720
N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-2-thiophen-3-ylethanamine
CID 62556525
N-[2-(2-ethylpiperidin-1-yl)ethyl]-2-thiophen-3-ylethanamine
CID 62575266
N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-thiophen-3-ylethanamine
CID 55085249
N-(2-thiophen-3-ylethyl)butan-1-amine
CID 60751767
N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-3-thiophen-3-ylpropanamide
CID 47042309

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-thiophen-3-ylethanamine?
The IUPAC name of N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-thiophen-3-ylethanamine (CID 104961122) is N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-thiophen-3-ylethanamine.
What is the SMILES notation for N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-thiophen-3-ylethanamine?
The canonical SMILES for N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-thiophen-3-ylethanamine is C[C@@H]1CN(CCNCCc2ccsc2)C[C@H](C)O1.
What is the InChIKey of N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-thiophen-3-ylethanamine?
The InChIKey is SKSDEYYMFFAFOQ-BETUJISGSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-12-9-16(10-13(2)17-12)7-6-15-5-3-14-4-8-18-11-14/h4,8,11-13,15H,3,5-7,9-10H2,1-2H3/t12-,13+.
What are the key properties of N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-thiophen-3-ylethanamine?
N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-thiophen-3-ylethanamine has a molecular weight of 268.43 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-thiophen-3-ylethanamine is sourced from PubChem (CID 104961122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).