4-[2-(3-bromopropyl)pyrrolidin-1-yl]thieno[3,2-c]pyridine

C14H17BrN2S — CID 80679780

IUPAC4-[2-(3-bromopropyl)pyrrolidin-1-yl]thieno[3,2-c]pyridine
SMILESBrCCCC1CCCN1c1nccc2sccc12
InChIInChI=1S/C14H17BrN2S/c15-7-1-3-11-4-2-9-17(11)14-12-6-10-18-13(12)5-8-16-14/h5-6,8,10-11H,1-4,7,9H2
InChIKeyNASBWNREBIKRSV-UHFFFAOYSA-N
MW325.28 g/mol
LogP4.44
Rot. Bonds4

About 4-[2-(3-bromopropyl)pyrrolidin-1-yl]thieno[3,2-c]pyridine

4-[2-(3-bromopropyl)pyrrolidin-1-yl]thieno[3,2-c]pyridine (PubChem CID 80679780) has the molecular formula C14H17BrN2S and a molecular weight of 325.28 g/mol. Its IUPAC name is 4-[2-(3-bromopropyl)pyrrolidin-1-yl]thieno[3,2-c]pyridine.

Molecular Properties

Compound Name4-[2-(3-bromopropyl)pyrrolidin-1-yl]thieno[3,2-c]pyridine
PubChem CID80679780
Molecular FormulaC14H17BrN2S
Molecular Weight325.28 g/mol
Exact Mass324.03
IUPAC Name4-[2-(3-bromopropyl)pyrrolidin-1-yl]thieno[3,2-c]pyridine
SMILESBrCCCC1CCCN1c1nccc2sccc12
InChIInChI=1S/C14H17BrN2S/c15-7-1-3-11-4-2-9-17(11)14-12-6-10-18-13(12)5-8-16-14/h5-6,8,10-11H,1-4,7,9H2
InChIKeyNASBWNREBIKRSV-UHFFFAOYSA-N
XLogP4.44
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.28
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(1-thieno[3,2-c]pyridin-4-ylpyrrolidin-2-yl)methanamine
CID 62592284
4-[2-(3-chloropropyl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine
CID 63390203
4-[4-(bromomethyl)piperidin-1-yl]thieno[3,2-c]pyridine
CID 80669496
4-[2-(3-bromopropyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrazine
CID 113446660
2-[2-(3-bromopropyl)pyrrolidin-1-yl]-4-methylpyrimidine
CID 80679897
2-[2-(3-bromopropyl)pyrrolidin-1-yl]-4-methylpyridine
CID 80679655
2-[2-(3-bromopropyl)pyrrolidin-1-yl]-3-propan-2-yloxypyridine
CID 113371357
3-[2-(3-bromopropyl)pyrrolidin-1-yl]-1-ethylpyrazin-2-one
CID 80680246
3-[2-(3-bromopropyl)pyrrolidin-1-yl]pyridazine
CID 80680463
N-[(4-thieno[3,2-c]pyridin-4-ylmorpholin-3-yl)methyl]propan-2-amine
CID 83104921
4-[2-(bromomethyl)piperidin-1-yl]thieno[2,3-d]pyrimidine
CID 80676014
1-[2-(3-aminopropyl)pyrrolidin-1-yl]isoquinolin-7-ol
CID 106543368

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-bromopropyl)pyrrolidin-1-yl]thieno[3,2-c]pyridine?
The IUPAC name of 4-[2-(3-bromopropyl)pyrrolidin-1-yl]thieno[3,2-c]pyridine (CID 80679780) is 4-[2-(3-bromopropyl)pyrrolidin-1-yl]thieno[3,2-c]pyridine.
What is the SMILES notation for 4-[2-(3-bromopropyl)pyrrolidin-1-yl]thieno[3,2-c]pyridine?
The canonical SMILES for 4-[2-(3-bromopropyl)pyrrolidin-1-yl]thieno[3,2-c]pyridine is BrCCCC1CCCN1c1nccc2sccc12.
What is the InChIKey of 4-[2-(3-bromopropyl)pyrrolidin-1-yl]thieno[3,2-c]pyridine?
The InChIKey is NASBWNREBIKRSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2S/c15-7-1-3-11-4-2-9-17(11)14-12-6-10-18-13(12)5-8-16-14/h5-6,8,10-11H,1-4,7,9H2.
What are the key properties of 4-[2-(3-bromopropyl)pyrrolidin-1-yl]thieno[3,2-c]pyridine?
4-[2-(3-bromopropyl)pyrrolidin-1-yl]thieno[3,2-c]pyridine has a molecular weight of 325.28 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-bromopropyl)pyrrolidin-1-yl]thieno[3,2-c]pyridine is sourced from PubChem (CID 80679780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).