(2S)-N-methyl-2-morpholin-4-yl-N-(oxan-4-ylmethyl)-2-thiophen-2-ylethanamine

C17H28N2O2S — CID 95767529

IUPAC(2S)-N-methyl-2-morpholin-4-yl-N-(oxan-4-ylmethyl)-2-thiophen-2-ylethanamine
SMILESCN(CC1CCOCC1)C[C@@H](c1cccs1)N1CCOCC1
InChIInChI=1S/C17H28N2O2S/c1-18(13-15-4-8-20-9-5-15)14-16(17-3-2-12-22-17)19-6-10-21-11-7-19/h2-3,12,15-16H,4-11,13-14H2,1H3/t16-/m0/s1
InChIKeyDMIFOBGBCWMDKF-INIZCTEOSA-N
MW324.49 g/mol
LogP2.48
Rot. Bonds6

About (2S)-N-methyl-2-morpholin-4-yl-N-(oxan-4-ylmethyl)-2-thiophen-2-ylethanamine

(2S)-N-methyl-2-morpholin-4-yl-N-(oxan-4-ylmethyl)-2-thiophen-2-ylethanamine (PubChem CID 95767529) has the molecular formula C17H28N2O2S and a molecular weight of 324.49 g/mol. Its IUPAC name is (2S)-N-methyl-2-morpholin-4-yl-N-(oxan-4-ylmethyl)-2-thiophen-2-ylethanamine.

Molecular Properties

Compound Name(2S)-N-methyl-2-morpholin-4-yl-N-(oxan-4-ylmethyl)-2-thiophen-2-ylethanamine
PubChem CID95767529
Molecular FormulaC17H28N2O2S
Molecular Weight324.49 g/mol
Exact Mass324.19
IUPAC Name(2S)-N-methyl-2-morpholin-4-yl-N-(oxan-4-ylmethyl)-2-thiophen-2-ylethanamine
SMILESCN(CC1CCOCC1)C[C@@H](c1cccs1)N1CCOCC1
InChIInChI=1S/C17H28N2O2S/c1-18(13-15-4-8-20-9-5-15)14-16(17-3-2-12-22-17)19-6-10-21-11-7-19/h2-3,12,15-16H,4-11,13-14H2,1H3/t16-/m0/s1
InChIKeyDMIFOBGBCWMDKF-INIZCTEOSA-N
XLogP2.48
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.49
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2S)-N-methyl-2-morpholin-4-yl-N-(oxan-4-ylmethyl)-2-thiophen-2-ylethanamine with MolForge

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Launch Full Analysis

Related Compounds

N-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)but-2-yn-1-amine
CID 75422289
N-methyl-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]but-2-yn-1-amine
CID 97318047
(2R)-1-[methyl-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]amino]-3-methylsulfanylpropan-2-ol
CID 99787684
(2S)-N-methyl-2-morpholin-4-yl-N-(2-propan-2-yloxyethyl)-2-thiophen-2-ylethanamine
CID 97085403
N-[2-[methyl-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]amino]ethyl]methanesulfonamide
CID 96998377
2-amino-N-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide;dihydrochloride
CID 119880785
N'-methyl-N'-(oxan-4-ylmethyl)-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine
CID 63705847
3-amino-N-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)cyclopentane-1-carboxamide;dihydrochloride
CID 119880755
1,1,3,3-tetramethyl-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111027034
N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-methyl-2-morpholin-4-yl-2-thiophen-2-ylethanamine;dihydrochloride
CID 120752871
N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)cyclopentanamine
CID 167947795
1-amino-N-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)cyclopentane-1-carboxamide;dihydrochloride
CID 119880763

Frequently Asked Questions

What is the IUPAC name of (2S)-N-methyl-2-morpholin-4-yl-N-(oxan-4-ylmethyl)-2-thiophen-2-ylethanamine?
The IUPAC name of (2S)-N-methyl-2-morpholin-4-yl-N-(oxan-4-ylmethyl)-2-thiophen-2-ylethanamine (CID 95767529) is (2S)-N-methyl-2-morpholin-4-yl-N-(oxan-4-ylmethyl)-2-thiophen-2-ylethanamine.
What is the SMILES notation for (2S)-N-methyl-2-morpholin-4-yl-N-(oxan-4-ylmethyl)-2-thiophen-2-ylethanamine?
The canonical SMILES for (2S)-N-methyl-2-morpholin-4-yl-N-(oxan-4-ylmethyl)-2-thiophen-2-ylethanamine is CN(CC1CCOCC1)C[C@@H](c1cccs1)N1CCOCC1.
What is the InChIKey of (2S)-N-methyl-2-morpholin-4-yl-N-(oxan-4-ylmethyl)-2-thiophen-2-ylethanamine?
The InChIKey is DMIFOBGBCWMDKF-INIZCTEOSA-N. The full InChI is InChI=1S/C17H28N2O2S/c1-18(13-15-4-8-20-9-5-15)14-16(17-3-2-12-22-17)19-6-10-21-11-7-19/h2-3,12,15-16H,4-11,13-14H2,1H3/t16-/m0/s1.
What are the key properties of (2S)-N-methyl-2-morpholin-4-yl-N-(oxan-4-ylmethyl)-2-thiophen-2-ylethanamine?
(2S)-N-methyl-2-morpholin-4-yl-N-(oxan-4-ylmethyl)-2-thiophen-2-ylethanamine has a molecular weight of 324.49 g/mol, XLogP of 2.48, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methyl-2-morpholin-4-yl-N-(oxan-4-ylmethyl)-2-thiophen-2-ylethanamine is sourced from PubChem (CID 95767529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).