1-thiophen-2-ylsulfanylpentan-2-amine

C9H15NS2 — CID 64615474

IUPAC1-thiophen-2-ylsulfanylpentan-2-amine
SMILESCCCC(N)CSc1cccs1
InChIInChI=1S/C9H15NS2/c1-2-4-8(10)7-12-9-5-3-6-11-9/h3,5-6,8H,2,4,7,10H2,1H3
InChIKeyPIIJDCGDERAHEL-UHFFFAOYSA-N
MW201.36 g/mol
LogP2.97
Rot. Bonds5

About 1-thiophen-2-ylsulfanylpentan-2-amine

1-thiophen-2-ylsulfanylpentan-2-amine (PubChem CID 64615474) has the molecular formula C9H15NS2 and a molecular weight of 201.36 g/mol. Its IUPAC name is 1-thiophen-2-ylsulfanylpentan-2-amine.

Molecular Properties

Compound Name1-thiophen-2-ylsulfanylpentan-2-amine
PubChem CID64615474
Molecular FormulaC9H15NS2
Molecular Weight201.36 g/mol
Exact Mass201.06
IUPAC Name1-thiophen-2-ylsulfanylpentan-2-amine
SMILESCCCC(N)CSc1cccs1
InChIInChI=1S/C9H15NS2/c1-2-4-8(10)7-12-9-5-3-6-11-9/h3,5-6,8H,2,4,7,10H2,1H3
InChIKeyPIIJDCGDERAHEL-UHFFFAOYSA-N
XLogP2.97
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.36
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-thiophen-2-ylsulfanylpentan-2-amine?
The IUPAC name of 1-thiophen-2-ylsulfanylpentan-2-amine (CID 64615474) is 1-thiophen-2-ylsulfanylpentan-2-amine.
What is the SMILES notation for 1-thiophen-2-ylsulfanylpentan-2-amine?
The canonical SMILES for 1-thiophen-2-ylsulfanylpentan-2-amine is CCCC(N)CSc1cccs1.
What is the InChIKey of 1-thiophen-2-ylsulfanylpentan-2-amine?
The InChIKey is PIIJDCGDERAHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NS2/c1-2-4-8(10)7-12-9-5-3-6-11-9/h3,5-6,8H,2,4,7,10H2,1H3.
What are the key properties of 1-thiophen-2-ylsulfanylpentan-2-amine?
1-thiophen-2-ylsulfanylpentan-2-amine has a molecular weight of 201.36 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-2-ylsulfanylpentan-2-amine is sourced from PubChem (CID 64615474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).