N-(2-thiophen-2-ylsulfanylethyl)pentan-3-amine

C11H19NS2 — CID 62576706

IUPACN-(2-thiophen-2-ylsulfanylethyl)pentan-3-amine
SMILESCCC(CC)NCCSc1cccs1
InChIInChI=1S/C11H19NS2/c1-3-10(4-2)12-7-9-14-11-6-5-8-13-11/h5-6,8,10,12H,3-4,7,9H2,1-2H3
InChIKeyONBSQFHIYSLJCG-UHFFFAOYSA-N
MW229.41 g/mol
LogP3.62
Rot. Bonds7

About N-(2-thiophen-2-ylsulfanylethyl)pentan-3-amine

N-(2-thiophen-2-ylsulfanylethyl)pentan-3-amine (PubChem CID 62576706) has the molecular formula C11H19NS2 and a molecular weight of 229.41 g/mol. Its IUPAC name is N-(2-thiophen-2-ylsulfanylethyl)pentan-3-amine.

Molecular Properties

Compound NameN-(2-thiophen-2-ylsulfanylethyl)pentan-3-amine
PubChem CID62576706
Molecular FormulaC11H19NS2
Molecular Weight229.41 g/mol
Exact Mass229.10
IUPAC NameN-(2-thiophen-2-ylsulfanylethyl)pentan-3-amine
SMILESCCC(CC)NCCSc1cccs1
InChIInChI=1S/C11H19NS2/c1-3-10(4-2)12-7-9-14-11-6-5-8-13-11/h5-6,8,10,12H,3-4,7,9H2,1-2H3
InChIKeyONBSQFHIYSLJCG-UHFFFAOYSA-N
XLogP3.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 53.62
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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Frequently Asked Questions

What is the IUPAC name of N-(2-thiophen-2-ylsulfanylethyl)pentan-3-amine?
The IUPAC name of N-(2-thiophen-2-ylsulfanylethyl)pentan-3-amine (CID 62576706) is N-(2-thiophen-2-ylsulfanylethyl)pentan-3-amine.
What is the SMILES notation for N-(2-thiophen-2-ylsulfanylethyl)pentan-3-amine?
The canonical SMILES for N-(2-thiophen-2-ylsulfanylethyl)pentan-3-amine is CCC(CC)NCCSc1cccs1.
What is the InChIKey of N-(2-thiophen-2-ylsulfanylethyl)pentan-3-amine?
The InChIKey is ONBSQFHIYSLJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NS2/c1-3-10(4-2)12-7-9-14-11-6-5-8-13-11/h5-6,8,10,12H,3-4,7,9H2,1-2H3.
What are the key properties of N-(2-thiophen-2-ylsulfanylethyl)pentan-3-amine?
N-(2-thiophen-2-ylsulfanylethyl)pentan-3-amine has a molecular weight of 229.41 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-thiophen-2-ylsulfanylethyl)pentan-3-amine is sourced from PubChem (CID 62576706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).