N-[[(2S)-4-methylmorpholin-2-yl]methyl]-2-thiophen-2-ylethanamine

C12H20N2OS — CID 95303552

IUPACN-[[(2S)-4-methylmorpholin-2-yl]methyl]-2-thiophen-2-ylethanamine
SMILESCN1CCO[C@@H](CNCCc2cccs2)C1
InChIInChI=1S/C12H20N2OS/c1-14-6-7-15-11(10-14)9-13-5-4-12-3-2-8-16-12/h2-3,8,11,13H,4-7,9-10H2,1H3/t11-/m0/s1
InChIKeyWGUVMJRDWAOUMH-NSHDSACASA-N
MW240.37 g/mol
LogP1.21
Rot. Bonds5

About N-[[(2S)-4-methylmorpholin-2-yl]methyl]-2-thiophen-2-ylethanamine

N-[[(2S)-4-methylmorpholin-2-yl]methyl]-2-thiophen-2-ylethanamine (PubChem CID 95303552) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is N-[[(2S)-4-methylmorpholin-2-yl]methyl]-2-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-[[(2S)-4-methylmorpholin-2-yl]methyl]-2-thiophen-2-ylethanamine
PubChem CID95303552
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC NameN-[[(2S)-4-methylmorpholin-2-yl]methyl]-2-thiophen-2-ylethanamine
SMILESCN1CCO[C@@H](CNCCc2cccs2)C1
InChIInChI=1S/C12H20N2OS/c1-14-6-7-15-11(10-14)9-13-5-4-12-3-2-8-16-12/h2-3,8,11,13H,4-7,9-10H2,1H3/t11-/m0/s1
InChIKeyWGUVMJRDWAOUMH-NSHDSACASA-N
XLogP1.21
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 51.21
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-[(4-methylmorpholin-2-yl)methyl]-3-thiophen-2-ylpropanamide
CID 110710235
N-[(4-methylmorpholin-2-yl)methyl]-2-(2-methylphenyl)ethanamine
CID 79749259
N-[(4-methylmorpholin-2-yl)methyl]-3-phenylpropan-1-amine
CID 78945255
[1-(4-methylmorpholin-2-yl)-3-thiophen-2-ylpropyl]hydrazine
CID 105244332
3-chloro-N-[(4-methylmorpholin-2-yl)methyl]propan-1-amine
CID 79181889
N-(azetidin-3-ylmethyl)-2-thiophen-2-ylethanamine
CID 115207735
N-[(5-bromothiophen-2-yl)methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine
CID 95159793
N-[(5-chlorothiophen-2-yl)methyl]-1-[(2S)-4-methylmorpholin-2-yl]methanamine
CID 95598780
2-[[(2R)-4-methylmorpholin-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 129323420
N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]-2-thiophen-2-ylethanamine
CID 66369855
N'-cyclopropyl-N'-methyl-N-[(4-methylmorpholin-2-yl)methyl]ethane-1,2-diamine
CID 79172100
N-[(4-methylmorpholin-2-yl)methyl]-3-phenylprop-2-yn-1-amine
CID 79071101

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-4-methylmorpholin-2-yl]methyl]-2-thiophen-2-ylethanamine?
The IUPAC name of N-[[(2S)-4-methylmorpholin-2-yl]methyl]-2-thiophen-2-ylethanamine (CID 95303552) is N-[[(2S)-4-methylmorpholin-2-yl]methyl]-2-thiophen-2-ylethanamine.
What is the SMILES notation for N-[[(2S)-4-methylmorpholin-2-yl]methyl]-2-thiophen-2-ylethanamine?
The canonical SMILES for N-[[(2S)-4-methylmorpholin-2-yl]methyl]-2-thiophen-2-ylethanamine is CN1CCO[C@@H](CNCCc2cccs2)C1.
What is the InChIKey of N-[[(2S)-4-methylmorpholin-2-yl]methyl]-2-thiophen-2-ylethanamine?
The InChIKey is WGUVMJRDWAOUMH-NSHDSACASA-N. The full InChI is InChI=1S/C12H20N2OS/c1-14-6-7-15-11(10-14)9-13-5-4-12-3-2-8-16-12/h2-3,8,11,13H,4-7,9-10H2,1H3/t11-/m0/s1.
What are the key properties of N-[[(2S)-4-methylmorpholin-2-yl]methyl]-2-thiophen-2-ylethanamine?
N-[[(2S)-4-methylmorpholin-2-yl]methyl]-2-thiophen-2-ylethanamine has a molecular weight of 240.37 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-4-methylmorpholin-2-yl]methyl]-2-thiophen-2-ylethanamine is sourced from PubChem (CID 95303552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).