N-(2-methoxyethyl)-N-(thiomorpholin-3-ylmethyl)prop-2-en-1-amine

C11H22N2OS — CID 103339487

IUPACN-(2-methoxyethyl)-N-(thiomorpholin-3-ylmethyl)prop-2-en-1-amine
SMILESC=CCN(CCOC)CC1CSCCN1
InChIInChI=1S/C11H22N2OS/c1-3-5-13(6-7-14-2)9-11-10-15-8-4-12-11/h3,11-12H,1,4-10H2,2H3
InChIKeyLNUIUIKUIVHDLJ-UHFFFAOYSA-N
MW230.38 g/mol
LogP0.83
Rot. Bonds7

About N-(2-methoxyethyl)-N-(thiomorpholin-3-ylmethyl)prop-2-en-1-amine

N-(2-methoxyethyl)-N-(thiomorpholin-3-ylmethyl)prop-2-en-1-amine (PubChem CID 103339487) has the molecular formula C11H22N2OS and a molecular weight of 230.38 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-(thiomorpholin-3-ylmethyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-(thiomorpholin-3-ylmethyl)prop-2-en-1-amine
PubChem CID103339487
Molecular FormulaC11H22N2OS
Molecular Weight230.38 g/mol
Exact Mass230.15
IUPAC NameN-(2-methoxyethyl)-N-(thiomorpholin-3-ylmethyl)prop-2-en-1-amine
SMILESC=CCN(CCOC)CC1CSCCN1
InChIInChI=1S/C11H22N2OS/c1-3-5-13(6-7-14-2)9-11-10-15-8-4-12-11/h3,11-12H,1,4-10H2,2H3
InChIKeyLNUIUIKUIVHDLJ-UHFFFAOYSA-N
XLogP0.83
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-N-[(4-methoxypyrrolidin-2-yl)methyl]prop-2-en-1-amine
CID 103339373
N-(2-methoxyethyl)-2-methyl-N-(2-thiomorpholin-3-ylethyl)propan-1-amine
CID 66422368
N-(2-methoxyethyl)-N-(piperidin-4-ylmethyl)prop-2-en-1-amine
CID 103339364
N-(2-methoxyethyl)-N-(2-pyrrolidin-2-ylethyl)prop-2-en-1-amine
CID 103339292
N-(2-methoxyethyl)-N-(2-thiomorpholin-3-ylethyl)cyclopropanamine
CID 66422757
N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-(2-methoxyethyl)prop-2-en-1-amine
CID 103339279
1-cyclopropyl-N-(cyclopropylmethyl)-N-(thiomorpholin-3-ylmethyl)methanamine
CID 82916870
N-(2-methoxyethyl)-2-thiomorpholin-3-ylethanamine
CID 66420350
N-[3-[2-methoxyethyl(methyl)amino]propyl]-2-thiomorpholin-3-ylacetamide
CID 119941360
N-(azepan-2-ylmethyl)-2-methoxy-N-(2-methoxyethyl)ethanamine
CID 64569967
N-[[5-(aminomethyl)oxolan-2-yl]methyl]-N-(2-methoxyethyl)prop-2-en-1-amine
CID 103339453
2-[2-methoxyethyl(prop-2-enyl)amino]ethanol
CID 115613713

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-(thiomorpholin-3-ylmethyl)prop-2-en-1-amine?
The IUPAC name of N-(2-methoxyethyl)-N-(thiomorpholin-3-ylmethyl)prop-2-en-1-amine (CID 103339487) is N-(2-methoxyethyl)-N-(thiomorpholin-3-ylmethyl)prop-2-en-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-N-(thiomorpholin-3-ylmethyl)prop-2-en-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-N-(thiomorpholin-3-ylmethyl)prop-2-en-1-amine is C=CCN(CCOC)CC1CSCCN1.
What is the InChIKey of N-(2-methoxyethyl)-N-(thiomorpholin-3-ylmethyl)prop-2-en-1-amine?
The InChIKey is LNUIUIKUIVHDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2OS/c1-3-5-13(6-7-14-2)9-11-10-15-8-4-12-11/h3,11-12H,1,4-10H2,2H3.
What are the key properties of N-(2-methoxyethyl)-N-(thiomorpholin-3-ylmethyl)prop-2-en-1-amine?
N-(2-methoxyethyl)-N-(thiomorpholin-3-ylmethyl)prop-2-en-1-amine has a molecular weight of 230.38 g/mol, XLogP of 0.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-(thiomorpholin-3-ylmethyl)prop-2-en-1-amine is sourced from PubChem (CID 103339487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).