N-[2-(oxan-4-ylsulfanyl)ethyl]-2-thiophen-2-ylethanamine

C13H21NOS2 — CID 62989276

IUPACN-[2-(oxan-4-ylsulfanyl)ethyl]-2-thiophen-2-ylethanamine
SMILESc1csc(CCNCCSC2CCOCC2)c1
InChIInChI=1S/C13H21NOS2/c1-2-12(16-10-1)3-6-14-7-11-17-13-4-8-15-9-5-13/h1-2,10,13-14H,3-9,11H2
InChIKeyMZTPDUBAOZUUOO-UHFFFAOYSA-N
MW271.45 g/mol
LogP2.79
Rot. Bonds7

About N-[2-(oxan-4-ylsulfanyl)ethyl]-2-thiophen-2-ylethanamine

N-[2-(oxan-4-ylsulfanyl)ethyl]-2-thiophen-2-ylethanamine (PubChem CID 62989276) has the molecular formula C13H21NOS2 and a molecular weight of 271.45 g/mol. Its IUPAC name is N-[2-(oxan-4-ylsulfanyl)ethyl]-2-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-[2-(oxan-4-ylsulfanyl)ethyl]-2-thiophen-2-ylethanamine
PubChem CID62989276
Molecular FormulaC13H21NOS2
Molecular Weight271.45 g/mol
Exact Mass271.11
IUPAC NameN-[2-(oxan-4-ylsulfanyl)ethyl]-2-thiophen-2-ylethanamine
SMILESc1csc(CCNCCSC2CCOCC2)c1
InChIInChI=1S/C13H21NOS2/c1-2-12(16-10-1)3-6-14-7-11-17-13-4-8-15-9-5-13/h1-2,10,13-14H,3-9,11H2
InChIKeyMZTPDUBAOZUUOO-UHFFFAOYSA-N
XLogP2.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 52.79
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

3-cyclopentyl-N-(2-thiophen-2-ylethyl)propan-1-amine
CID 106010634
3-methyl-1-N-(2-thiophen-2-ylethyl)butane-1,3-diamine
CID 115200758
2-methyl-4-(2-thiophen-2-ylethylamino)butan-2-ol
CID 79361899
N-[2-(oxan-4-ylsulfanyl)ethyl]aniline
CID 62990711
N-[2-(2-methylpropylsulfanyl)ethyl]-2-thiophen-2-ylethanamine
CID 62577565
N-(2-pyrimidin-2-ylsulfanylethyl)-2-thiophen-2-ylethanamine
CID 62578414
N-[2-(4-fluorophenyl)sulfanylethyl]-2-thiophen-2-ylethanamine
CID 60695389
N-[2-(2-thiophen-2-ylethylamino)ethyl]cyclopropanecarboxamide
CID 115599497
N-(2-cyclopentylsulfanylethyl)-2-thiophen-2-ylacetamide
CID 94101567
N-(bromomethyl)-2-thiophen-2-ylethanamine
CID 115262160
N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]-2-thiophen-2-ylethanamine
CID 66369855
N-[2-(oxan-4-ylsulfanyl)ethyl]butan-1-amine
CID 62990893

Frequently Asked Questions

What is the IUPAC name of N-[2-(oxan-4-ylsulfanyl)ethyl]-2-thiophen-2-ylethanamine?
The IUPAC name of N-[2-(oxan-4-ylsulfanyl)ethyl]-2-thiophen-2-ylethanamine (CID 62989276) is N-[2-(oxan-4-ylsulfanyl)ethyl]-2-thiophen-2-ylethanamine.
What is the SMILES notation for N-[2-(oxan-4-ylsulfanyl)ethyl]-2-thiophen-2-ylethanamine?
The canonical SMILES for N-[2-(oxan-4-ylsulfanyl)ethyl]-2-thiophen-2-ylethanamine is c1csc(CCNCCSC2CCOCC2)c1.
What is the InChIKey of N-[2-(oxan-4-ylsulfanyl)ethyl]-2-thiophen-2-ylethanamine?
The InChIKey is MZTPDUBAOZUUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS2/c1-2-12(16-10-1)3-6-14-7-11-17-13-4-8-15-9-5-13/h1-2,10,13-14H,3-9,11H2.
What are the key properties of N-[2-(oxan-4-ylsulfanyl)ethyl]-2-thiophen-2-ylethanamine?
N-[2-(oxan-4-ylsulfanyl)ethyl]-2-thiophen-2-ylethanamine has a molecular weight of 271.45 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(oxan-4-ylsulfanyl)ethyl]-2-thiophen-2-ylethanamine is sourced from PubChem (CID 62989276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).