N-butyl-N-thiophen-2-ylthiophen-2-amine

C12H15NS2 — CID 66654943

IUPACN-butyl-N-thiophen-2-ylthiophen-2-amine
SMILESCCCCN(c1cccs1)c1cccs1
InChIInChI=1S/C12H15NS2/c1-2-3-8-13(11-6-4-9-14-11)12-7-5-10-15-12/h4-7,9-10H,2-3,8H2,1H3
InChIKeyBDXSRJDSZZMWRL-UHFFFAOYSA-N
MW237.39 g/mol
LogP4.75
Rot. Bonds5

About N-butyl-N-thiophen-2-ylthiophen-2-amine

N-butyl-N-thiophen-2-ylthiophen-2-amine (PubChem CID 66654943) has the molecular formula C12H15NS2 and a molecular weight of 237.39 g/mol. Its IUPAC name is N-butyl-N-thiophen-2-ylthiophen-2-amine.

Molecular Properties

Compound NameN-butyl-N-thiophen-2-ylthiophen-2-amine
PubChem CID66654943
Molecular FormulaC12H15NS2
Molecular Weight237.39 g/mol
Exact Mass237.06
IUPAC NameN-butyl-N-thiophen-2-ylthiophen-2-amine
SMILESCCCCN(c1cccs1)c1cccs1
InChIInChI=1S/C12H15NS2/c1-2-3-8-13(11-6-4-9-14-11)12-7-5-10-15-12/h4-7,9-10H,2-3,8H2,1H3
InChIKeyBDXSRJDSZZMWRL-UHFFFAOYSA-N
XLogP4.75
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-thiophen-2-ylthiophen-2-amine?
The IUPAC name of N-butyl-N-thiophen-2-ylthiophen-2-amine (CID 66654943) is N-butyl-N-thiophen-2-ylthiophen-2-amine.
What is the SMILES notation for N-butyl-N-thiophen-2-ylthiophen-2-amine?
The canonical SMILES for N-butyl-N-thiophen-2-ylthiophen-2-amine is CCCCN(c1cccs1)c1cccs1.
What is the InChIKey of N-butyl-N-thiophen-2-ylthiophen-2-amine?
The InChIKey is BDXSRJDSZZMWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NS2/c1-2-3-8-13(11-6-4-9-14-11)12-7-5-10-15-12/h4-7,9-10H,2-3,8H2,1H3.
What are the key properties of N-butyl-N-thiophen-2-ylthiophen-2-amine?
N-butyl-N-thiophen-2-ylthiophen-2-amine has a molecular weight of 237.39 g/mol, XLogP of 4.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-thiophen-2-ylthiophen-2-amine is sourced from PubChem (CID 66654943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).