5-bromo-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide;hydrochloride

C10H14BrClN2OS — CID 119513668

IUPAC5-bromo-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide;hydrochloride
SMILESCl.O=C(NCC1CCCN1)c1ccc(Br)s1
InChIInChI=1S/C10H13BrN2OS.ClH/c11-9-4-3-8(15-9)10(14)13-6-7-2-1-5-12-7;/h3-4,7,12H,1-2,5-6H2,(H,13,14);1H
InChIKeyPFOIYGOAPQSNRZ-UHFFFAOYSA-N
MW325.66 g/mol
LogP2.41
Rot. Bonds3

About 5-bromo-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide;hydrochloride

5-bromo-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide;hydrochloride (PubChem CID 119513668) has the molecular formula C10H14BrClN2OS and a molecular weight of 325.66 g/mol. Its IUPAC name is 5-bromo-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-bromo-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide;hydrochloride
PubChem CID119513668
Molecular FormulaC10H14BrClN2OS
Molecular Weight325.66 g/mol
Exact Mass323.97
IUPAC Name5-bromo-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide;hydrochloride
SMILESCl.O=C(NCC1CCCN1)c1ccc(Br)s1
InChIInChI=1S/C10H13BrN2OS.ClH/c11-9-4-3-8(15-9)10(14)13-6-7-2-1-5-12-7;/h3-4,7,12H,1-2,5-6H2,(H,13,14);1H
InChIKeyPFOIYGOAPQSNRZ-UHFFFAOYSA-N
XLogP2.41
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.66
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide;hydrochloride?
The IUPAC name of 5-bromo-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide;hydrochloride (CID 119513668) is 5-bromo-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for 5-bromo-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide;hydrochloride?
The canonical SMILES for 5-bromo-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide;hydrochloride is Cl.O=C(NCC1CCCN1)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide;hydrochloride?
The InChIKey is PFOIYGOAPQSNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2OS.ClH/c11-9-4-3-8(15-9)10(14)13-6-7-2-1-5-12-7;/h3-4,7,12H,1-2,5-6H2,(H,13,14);1H.
What are the key properties of 5-bromo-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide;hydrochloride?
5-bromo-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide;hydrochloride has a molecular weight of 325.66 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 119513668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).