2-(2-thiophen-2-ylethylsulfanyl)ethanamine

C8H13NS2 — CID 19018756

IUPAC2-(2-thiophen-2-ylethylsulfanyl)ethanamine
SMILESNCCSCCc1cccs1
InChIInChI=1S/C8H13NS2/c9-4-7-10-6-3-8-2-1-5-11-8/h1-2,5H,3-4,6-7,9H2
InChIKeyKAKFBAKBPHNJKI-UHFFFAOYSA-N
MW187.33 g/mol
LogP1.98
Rot. Bonds5

About 2-(2-thiophen-2-ylethylsulfanyl)ethanamine

2-(2-thiophen-2-ylethylsulfanyl)ethanamine (PubChem CID 19018756) has the molecular formula C8H13NS2 and a molecular weight of 187.33 g/mol. Its IUPAC name is 2-(2-thiophen-2-ylethylsulfanyl)ethanamine.

Molecular Properties

Compound Name2-(2-thiophen-2-ylethylsulfanyl)ethanamine
PubChem CID19018756
Molecular FormulaC8H13NS2
Molecular Weight187.33 g/mol
Exact Mass187.05
IUPAC Name2-(2-thiophen-2-ylethylsulfanyl)ethanamine
SMILESNCCSCCc1cccs1
InChIInChI=1S/C8H13NS2/c9-4-7-10-6-3-8-2-1-5-11-8/h1-2,5H,3-4,6-7,9H2
InChIKeyKAKFBAKBPHNJKI-UHFFFAOYSA-N
XLogP1.98
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

molecular hydrogen;2-thiophen-2-ylethanamine
CID 142393573
1-(2-thiophen-2-ylethylsulfanyl)butan-2-amine
CID 66231037
10-thiophen-2-yldecan-1-amine
CID 22115195
3-methyl-5-thiophen-2-ylpentan-1-amine
CID 65300701
2-[1-(2-thiophen-2-ylethyl)imidazol-2-yl]sulfanylethanamine
CID 94691066
CID 59269201
CID 59269201
2-(4-fluorobutyl)thiophene
CID 67851736
2-(4-chlorophenyl)-4-thiophen-2-ylbutan-1-amine
CID 79441894
2-butylthiophene;methanamine
CID 143080300
N'-benzyl-N'-(2-thiophen-2-ylethyl)propane-1,3-diamine
CID 107366906
(2R)-2-acetamido-3-(2-thiophen-2-ylethylsulfanyl)propanoic acid
CID 107774768
2-(thiophen-2-ylmethylsulfanyl)ethylazanium
CID 7129022

Frequently Asked Questions

What is the IUPAC name of 2-(2-thiophen-2-ylethylsulfanyl)ethanamine?
The IUPAC name of 2-(2-thiophen-2-ylethylsulfanyl)ethanamine (CID 19018756) is 2-(2-thiophen-2-ylethylsulfanyl)ethanamine.
What is the SMILES notation for 2-(2-thiophen-2-ylethylsulfanyl)ethanamine?
The canonical SMILES for 2-(2-thiophen-2-ylethylsulfanyl)ethanamine is NCCSCCc1cccs1.
What is the InChIKey of 2-(2-thiophen-2-ylethylsulfanyl)ethanamine?
The InChIKey is KAKFBAKBPHNJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NS2/c9-4-7-10-6-3-8-2-1-5-11-8/h1-2,5H,3-4,6-7,9H2.
What are the key properties of 2-(2-thiophen-2-ylethylsulfanyl)ethanamine?
2-(2-thiophen-2-ylethylsulfanyl)ethanamine has a molecular weight of 187.33 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-thiophen-2-ylethylsulfanyl)ethanamine is sourced from PubChem (CID 19018756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).