1-[5-[5-(5-nitrothiophen-2-yl)thiophen-2-yl]thiophen-2-yl]pyrrolidine

C16H14N2O2S3 — CID 10451314

IUPAC1-[5-[5-(5-nitrothiophen-2-yl)thiophen-2-yl]thiophen-2-yl]pyrrolidine
SMILESO=[N+]([O-])c1ccc(-c2ccc(-c3ccc(N4CCCC4)s3)s2)s1
InChIInChI=1S/C16H14N2O2S3/c19-18(20)16-8-6-14(23-16)12-4-3-11(21-12)13-5-7-15(22-13)17-9-1-2-10-17/h3-8H,1-2,9-10H2
InChIKeyRDUXNQYSAKXLJL-UHFFFAOYSA-N
MW362.50 g/mol
LogP5.71
Rot. Bonds4

About 1-[5-[5-(5-nitrothiophen-2-yl)thiophen-2-yl]thiophen-2-yl]pyrrolidine

1-[5-[5-(5-nitrothiophen-2-yl)thiophen-2-yl]thiophen-2-yl]pyrrolidine (PubChem CID 10451314) has the molecular formula C16H14N2O2S3 and a molecular weight of 362.50 g/mol. Its IUPAC name is 1-[5-[5-(5-nitrothiophen-2-yl)thiophen-2-yl]thiophen-2-yl]pyrrolidine.

Molecular Properties

Compound Name1-[5-[5-(5-nitrothiophen-2-yl)thiophen-2-yl]thiophen-2-yl]pyrrolidine
PubChem CID10451314
Molecular FormulaC16H14N2O2S3
Molecular Weight362.50 g/mol
Exact Mass362.02
IUPAC Name1-[5-[5-(5-nitrothiophen-2-yl)thiophen-2-yl]thiophen-2-yl]pyrrolidine
SMILESO=[N+]([O-])c1ccc(-c2ccc(-c3ccc(N4CCCC4)s3)s2)s1
InChIInChI=1S/C16H14N2O2S3/c19-18(20)16-8-6-14(23-16)12-4-3-11(21-12)13-5-7-15(22-13)17-9-1-2-10-17/h3-8H,1-2,9-10H2
InChIKeyRDUXNQYSAKXLJL-UHFFFAOYSA-N
XLogP5.71
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.50
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-Dimethylamino-5'-nitro-2,2-bithiophene
CID 15191002
1-[5-[5-(5-Nitrothiophen-2-yl)thiophen-2-yl]thiophen-2-yl]piperidine
CID 85975554
(E)-1-[5-[(E)-1-(diethylamino)-2-(5-nitrothiophen-2-yl)ethenyl]thiophen-2-yl]-N,N-diethyl-2-(5-nitrothiophen-2-yl)ethenamine
CID 11114190
1-[5-(5-Nitrothiophen-2-yl)thiophen-2-yl]pyrrolidine
CID 11778429
N-methyl-1-[5-[5-(5-nitrothiophen-2-yl)thiophen-2-yl]thiophen-2-yl]methanamine
CID 121474321
1-[5-[5-[5-(5-Nitrothiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]pyrrolidine
CID 10433606
Diethyl[5-(5-nitro(2-thienyl))(2-thienyl)]amine
CID 28062016
N,N-dimethyl-5-(5-nitrothiophen-2-yl)selenophen-2-amine
CID 101023541
(Z)-1-[5-[(Z)-1-(diethylamino)-2-(5-nitrothiophen-2-yl)ethenyl]thiophen-2-yl]-N,N-diethyl-2-(5-nitrothiophen-2-yl)ethenamine
CID 101233687
1-[5-[(E)-2-(5-nitrothiophen-2-yl)ethenyl]thiophen-2-yl]pyrrolidine
CID 101928946
N,N-dimethyl-5-[5-(5-nitrothiophen-2-yl)thiophen-2-yl]thiophen-2-amine
CID 177530477
2-(5-Nitrothiophen-2-yl)-5-[5-(5-nitrothiophen-2-yl)thiophen-2-yl]thiophene
CID 177530850

Frequently Asked Questions

What is the IUPAC name of 1-[5-[5-(5-nitrothiophen-2-yl)thiophen-2-yl]thiophen-2-yl]pyrrolidine?
The IUPAC name of 1-[5-[5-(5-nitrothiophen-2-yl)thiophen-2-yl]thiophen-2-yl]pyrrolidine (CID 10451314) is 1-[5-[5-(5-nitrothiophen-2-yl)thiophen-2-yl]thiophen-2-yl]pyrrolidine.
What is the SMILES notation for 1-[5-[5-(5-nitrothiophen-2-yl)thiophen-2-yl]thiophen-2-yl]pyrrolidine?
The canonical SMILES for 1-[5-[5-(5-nitrothiophen-2-yl)thiophen-2-yl]thiophen-2-yl]pyrrolidine is O=[N+]([O-])c1ccc(-c2ccc(-c3ccc(N4CCCC4)s3)s2)s1.
What is the InChIKey of 1-[5-[5-(5-nitrothiophen-2-yl)thiophen-2-yl]thiophen-2-yl]pyrrolidine?
The InChIKey is RDUXNQYSAKXLJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S3/c19-18(20)16-8-6-14(23-16)12-4-3-11(21-12)13-5-7-15(22-13)17-9-1-2-10-17/h3-8H,1-2,9-10H2.
What are the key properties of 1-[5-[5-(5-nitrothiophen-2-yl)thiophen-2-yl]thiophen-2-yl]pyrrolidine?
1-[5-[5-(5-nitrothiophen-2-yl)thiophen-2-yl]thiophen-2-yl]pyrrolidine has a molecular weight of 362.50 g/mol, XLogP of 5.71, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[5-(5-nitrothiophen-2-yl)thiophen-2-yl]thiophen-2-yl]pyrrolidine is sourced from PubChem (CID 10451314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).