3-morpholin-4-yl-N-(thiophen-2-ylmethyl)propan-1-amine

C12H20N2OS — CID 2117475

IUPAC3-morpholin-4-yl-N-(thiophen-2-ylmethyl)propan-1-amine
SMILESc1csc(CNCCCN2CCOCC2)c1
InChIInChI=1S/C12H20N2OS/c1-3-12(16-10-1)11-13-4-2-5-14-6-8-15-9-7-14/h1,3,10,13H,2,4-9,11H2
InChIKeyJIEIYNBRXBCILQ-UHFFFAOYSA-N
MW240.37 g/mol
LogP1.56
Rot. Bonds6

About 3-morpholin-4-yl-N-(thiophen-2-ylmethyl)propan-1-amine

3-morpholin-4-yl-N-(thiophen-2-ylmethyl)propan-1-amine (PubChem CID 2117475) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 3-morpholin-4-yl-N-(thiophen-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-morpholin-4-yl-N-(thiophen-2-ylmethyl)propan-1-amine
PubChem CID2117475
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name3-morpholin-4-yl-N-(thiophen-2-ylmethyl)propan-1-amine
SMILESc1csc(CNCCCN2CCOCC2)c1
InChIInChI=1S/C12H20N2OS/c1-3-12(16-10-1)11-13-4-2-5-14-6-8-15-9-7-14/h1,3,10,13H,2,4-9,11H2
InChIKeyJIEIYNBRXBCILQ-UHFFFAOYSA-N
XLogP1.56
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 51.56
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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Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-N-(thiophen-2-ylmethyl)propan-1-amine?
The IUPAC name of 3-morpholin-4-yl-N-(thiophen-2-ylmethyl)propan-1-amine (CID 2117475) is 3-morpholin-4-yl-N-(thiophen-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-morpholin-4-yl-N-(thiophen-2-ylmethyl)propan-1-amine?
The canonical SMILES for 3-morpholin-4-yl-N-(thiophen-2-ylmethyl)propan-1-amine is c1csc(CNCCCN2CCOCC2)c1.
What is the InChIKey of 3-morpholin-4-yl-N-(thiophen-2-ylmethyl)propan-1-amine?
The InChIKey is JIEIYNBRXBCILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-3-12(16-10-1)11-13-4-2-5-14-6-8-15-9-7-14/h1,3,10,13H,2,4-9,11H2.
What are the key properties of 3-morpholin-4-yl-N-(thiophen-2-ylmethyl)propan-1-amine?
3-morpholin-4-yl-N-(thiophen-2-ylmethyl)propan-1-amine has a molecular weight of 240.37 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-N-(thiophen-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 2117475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).