N-(5-bromothiophen-2-yl)pyrrolidine-3-carboxamide

C9H11BrN2OS — CID 115159357

IUPACN-(5-bromothiophen-2-yl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(Br)s1)C1CCNC1
InChIInChI=1S/C9H11BrN2OS/c10-7-1-2-8(14-7)12-9(13)6-3-4-11-5-6/h1-2,6,11H,3-5H2,(H,12,13)
InChIKeyNFHPORHLFNPCKJ-UHFFFAOYSA-N
MW275.17 g/mol
LogP2.06
Rot. Bonds2

About N-(5-bromothiophen-2-yl)pyrrolidine-3-carboxamide

N-(5-bromothiophen-2-yl)pyrrolidine-3-carboxamide (PubChem CID 115159357) has the molecular formula C9H11BrN2OS and a molecular weight of 275.17 g/mol. Its IUPAC name is N-(5-bromothiophen-2-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-bromothiophen-2-yl)pyrrolidine-3-carboxamide
PubChem CID115159357
Molecular FormulaC9H11BrN2OS
Molecular Weight275.17 g/mol
Exact Mass273.98
IUPAC NameN-(5-bromothiophen-2-yl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(Br)s1)C1CCNC1
InChIInChI=1S/C9H11BrN2OS/c10-7-1-2-8(14-7)12-9(13)6-3-4-11-5-6/h1-2,6,11H,3-5H2,(H,12,13)
InChIKeyNFHPORHLFNPCKJ-UHFFFAOYSA-N
XLogP2.06
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.17
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-bromothiophen-2-yl)-4-(methylamino)cyclohexane-1-carboxamide
CID 115150612
3-amino-N-(5-bromothiophen-2-yl)cyclobutane-1-carboxamide
CID 115161279
N-[2-(5-bromothiophen-2-yl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119699604
(3S)-N-[(5-bromothiophen-2-yl)methyl]piperidine-3-carboxamide
CID 81129935
N-pyridin-4-ylpyrrolidine-3-carboxamide
CID 63005932
N-(4-chlorophenyl)pyrrolidine-3-carboxamide
CID 63006642
N-(5-bromothiophen-2-yl)morpholine-3-carboxamide
CID 115177539
N-(4-bromo-2-fluorophenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119673458
N-(3-bromo-2-methylphenyl)pyrrolidine-3-carboxamide
CID 103808589
N-(5-bromo-2-methoxyphenyl)pyrrolidine-3-carboxamide
CID 63006028
N-(3-hydroxyphenyl)pyrrolidine-3-carboxamide
CID 63006855
(3R)-N-(2-methylphenyl)pyrrolidine-3-carboxamide
CID 94915623

Frequently Asked Questions

What is the IUPAC name of N-(5-bromothiophen-2-yl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(5-bromothiophen-2-yl)pyrrolidine-3-carboxamide (CID 115159357) is N-(5-bromothiophen-2-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(5-bromothiophen-2-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(5-bromothiophen-2-yl)pyrrolidine-3-carboxamide is O=C(Nc1ccc(Br)s1)C1CCNC1.
What is the InChIKey of N-(5-bromothiophen-2-yl)pyrrolidine-3-carboxamide?
The InChIKey is NFHPORHLFNPCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2OS/c10-7-1-2-8(14-7)12-9(13)6-3-4-11-5-6/h1-2,6,11H,3-5H2,(H,12,13).
What are the key properties of N-(5-bromothiophen-2-yl)pyrrolidine-3-carboxamide?
N-(5-bromothiophen-2-yl)pyrrolidine-3-carboxamide has a molecular weight of 275.17 g/mol, XLogP of 2.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromothiophen-2-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 115159357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).