3-morpholin-4-yl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine

C16H22N2OS2 — CID 43433620

IUPAC3-morpholin-4-yl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine
SMILESc1csc(-c2csc(CNCCCN3CCOCC3)c2)c1
InChIInChI=1S/C16H22N2OS2/c1-3-16(20-10-1)14-11-15(21-13-14)12-17-4-2-5-18-6-8-19-9-7-18/h1,3,10-11,13,17H,2,4-9,12H2
InChIKeyCBKDVYXZEBDRHB-UHFFFAOYSA-N
MW322.50 g/mol
LogP3.29
Rot. Bonds7

About 3-morpholin-4-yl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine

3-morpholin-4-yl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine (PubChem CID 43433620) has the molecular formula C16H22N2OS2 and a molecular weight of 322.50 g/mol. Its IUPAC name is 3-morpholin-4-yl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-morpholin-4-yl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine
PubChem CID43433620
Molecular FormulaC16H22N2OS2
Molecular Weight322.50 g/mol
Exact Mass322.12
IUPAC Name3-morpholin-4-yl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine
SMILESc1csc(-c2csc(CNCCCN3CCOCC3)c2)c1
InChIInChI=1S/C16H22N2OS2/c1-3-16(20-10-1)14-11-15(21-13-14)12-17-4-2-5-18-6-8-19-9-7-18/h1,3,10-11,13,17H,2,4-9,12H2
InChIKeyCBKDVYXZEBDRHB-UHFFFAOYSA-N
XLogP3.29
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.50
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-pyrrolidin-1-yl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine
CID 43433717
N-(3-morpholin-4-ylpropyl)-4-thiophen-2-ylthiophene-2-carboxamide
CID 71690078
6-[(4-thiophen-2-ylthiophen-2-yl)methylamino]hexan-1-ol
CID 103924165
5-[(4-thiophen-2-ylthiophen-2-yl)methylamino]pentan-1-ol
CID 107302865
3-morpholin-4-yl-N-[[4-[(3-morpholin-4-ylpropylamino)methyl]phenyl]methyl]propan-1-amine
CID 24899046
3-piperidin-1-yl-N-(thiophen-2-ylmethyl)propan-1-amine
CID 28657357
1-(1,4-dimethylpiperazin-2-yl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]methanamine
CID 63898183
3-morpholin-4-yl-N-(thiophen-3-ylmethyl)propan-1-amine;dihydrochloride
CID 17332415
N-[(3-ethylthiophen-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 113411502
3-morpholin-4-yl-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]propan-1-amine;dihydrochloride
CID 17289507
N-[(5-chlorothiophen-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 28672980
N-[(5-methylthiophen-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 2224555

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine?
The IUPAC name of 3-morpholin-4-yl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine (CID 43433620) is 3-morpholin-4-yl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-morpholin-4-yl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine?
The canonical SMILES for 3-morpholin-4-yl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine is c1csc(-c2csc(CNCCCN3CCOCC3)c2)c1.
What is the InChIKey of 3-morpholin-4-yl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine?
The InChIKey is CBKDVYXZEBDRHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS2/c1-3-16(20-10-1)14-11-15(21-13-14)12-17-4-2-5-18-6-8-19-9-7-18/h1,3,10-11,13,17H,2,4-9,12H2.
What are the key properties of 3-morpholin-4-yl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine?
3-morpholin-4-yl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine has a molecular weight of 322.50 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 43433620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).