2-[5-(2-aminoethylsulfanylmethyl)thiophen-2-yl]butan-2-amine

C11H20N2S2 — CID 173420910

IUPAC2-[5-(2-aminoethylsulfanylmethyl)thiophen-2-yl]butan-2-amine
SMILESCCC(C)(N)c1ccc(CSCCN)s1
InChIInChI=1S/C11H20N2S2/c1-3-11(2,13)10-5-4-9(15-10)8-14-7-6-12/h4-5H,3,6-8,12-13H2,1-2H3
InChIKeyRTPOEJXSCCAMCA-UHFFFAOYSA-N
MW244.43 g/mol
LogP2.52
Rot. Bonds6

About 2-[5-(2-aminoethylsulfanylmethyl)thiophen-2-yl]butan-2-amine

2-[5-(2-aminoethylsulfanylmethyl)thiophen-2-yl]butan-2-amine (PubChem CID 173420910) has the molecular formula C11H20N2S2 and a molecular weight of 244.43 g/mol. Its IUPAC name is 2-[5-(2-aminoethylsulfanylmethyl)thiophen-2-yl]butan-2-amine.

Molecular Properties

Compound Name2-[5-(2-aminoethylsulfanylmethyl)thiophen-2-yl]butan-2-amine
PubChem CID173420910
Molecular FormulaC11H20N2S2
Molecular Weight244.43 g/mol
Exact Mass244.11
IUPAC Name2-[5-(2-aminoethylsulfanylmethyl)thiophen-2-yl]butan-2-amine
SMILESCCC(C)(N)c1ccc(CSCCN)s1
InChIInChI=1S/C11H20N2S2/c1-3-11(2,13)10-5-4-9(15-10)8-14-7-6-12/h4-5H,3,6-8,12-13H2,1-2H3
InChIKeyRTPOEJXSCCAMCA-UHFFFAOYSA-N
XLogP2.52
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.43
LogP ≤ 52.52
H-Bond Donors ≤ 52
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 2-[5-(2-aminoethylsulfanylmethyl)thiophen-2-yl]butan-2-amine?
The IUPAC name of 2-[5-(2-aminoethylsulfanylmethyl)thiophen-2-yl]butan-2-amine (CID 173420910) is 2-[5-(2-aminoethylsulfanylmethyl)thiophen-2-yl]butan-2-amine.
What is the SMILES notation for 2-[5-(2-aminoethylsulfanylmethyl)thiophen-2-yl]butan-2-amine?
The canonical SMILES for 2-[5-(2-aminoethylsulfanylmethyl)thiophen-2-yl]butan-2-amine is CCC(C)(N)c1ccc(CSCCN)s1.
What is the InChIKey of 2-[5-(2-aminoethylsulfanylmethyl)thiophen-2-yl]butan-2-amine?
The InChIKey is RTPOEJXSCCAMCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S2/c1-3-11(2,13)10-5-4-9(15-10)8-14-7-6-12/h4-5H,3,6-8,12-13H2,1-2H3.
What are the key properties of 2-[5-(2-aminoethylsulfanylmethyl)thiophen-2-yl]butan-2-amine?
2-[5-(2-aminoethylsulfanylmethyl)thiophen-2-yl]butan-2-amine has a molecular weight of 244.43 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-aminoethylsulfanylmethyl)thiophen-2-yl]butan-2-amine is sourced from PubChem (CID 173420910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).