5-(2,5-dichlorothiophen-3-yl)pentan-1-amine

C9H13Cl2NS — CID 65305801

IUPAC5-(2,5-dichlorothiophen-3-yl)pentan-1-amine
SMILESNCCCCCc1cc(Cl)sc1Cl
InChIInChI=1S/C9H13Cl2NS/c10-8-6-7(9(11)13-8)4-2-1-3-5-12/h6H,1-5,12H2
InChIKeyHPESAZUNKDZPOA-UHFFFAOYSA-N
MW238.18 g/mol
LogP3.73
Rot. Bonds5

About 5-(2,5-dichlorothiophen-3-yl)pentan-1-amine

5-(2,5-dichlorothiophen-3-yl)pentan-1-amine (PubChem CID 65305801) has the molecular formula C9H13Cl2NS and a molecular weight of 238.18 g/mol. Its IUPAC name is 5-(2,5-dichlorothiophen-3-yl)pentan-1-amine.

Molecular Properties

Compound Name5-(2,5-dichlorothiophen-3-yl)pentan-1-amine
PubChem CID65305801
Molecular FormulaC9H13Cl2NS
Molecular Weight238.18 g/mol
Exact Mass237.01
IUPAC Name5-(2,5-dichlorothiophen-3-yl)pentan-1-amine
SMILESNCCCCCc1cc(Cl)sc1Cl
InChIInChI=1S/C9H13Cl2NS/c10-8-6-7(9(11)13-8)4-2-1-3-5-12/h6H,1-5,12H2
InChIKeyHPESAZUNKDZPOA-UHFFFAOYSA-N
XLogP3.73
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.18
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 5-(2,5-dichlorothiophen-3-yl)pentan-1-amine?
The IUPAC name of 5-(2,5-dichlorothiophen-3-yl)pentan-1-amine (CID 65305801) is 5-(2,5-dichlorothiophen-3-yl)pentan-1-amine.
What is the SMILES notation for 5-(2,5-dichlorothiophen-3-yl)pentan-1-amine?
The canonical SMILES for 5-(2,5-dichlorothiophen-3-yl)pentan-1-amine is NCCCCCc1cc(Cl)sc1Cl.
What is the InChIKey of 5-(2,5-dichlorothiophen-3-yl)pentan-1-amine?
The InChIKey is HPESAZUNKDZPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13Cl2NS/c10-8-6-7(9(11)13-8)4-2-1-3-5-12/h6H,1-5,12H2.
What are the key properties of 5-(2,5-dichlorothiophen-3-yl)pentan-1-amine?
5-(2,5-dichlorothiophen-3-yl)pentan-1-amine has a molecular weight of 238.18 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dichlorothiophen-3-yl)pentan-1-amine is sourced from PubChem (CID 65305801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).