5-bromo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]thiophene-3-carboxamide

C11H15BrN2OS — CID 105057853

IUPAC5-bromo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]thiophene-3-carboxamide
SMILESO=C(NCC[C@H]1CCCN1)c1csc(Br)c1
InChIInChI=1S/C11H15BrN2OS/c12-10-6-8(7-16-10)11(15)14-5-3-9-2-1-4-13-9/h6-7,9,13H,1-5H2,(H,14,15)/t9-/m1/s1
InChIKeyIRBDSVIIEKJFAR-SECBINFHSA-N
MW303.23 g/mol
LogP2.38
Rot. Bonds4

About 5-bromo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]thiophene-3-carboxamide

5-bromo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]thiophene-3-carboxamide (PubChem CID 105057853) has the molecular formula C11H15BrN2OS and a molecular weight of 303.23 g/mol. Its IUPAC name is 5-bromo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]thiophene-3-carboxamide
PubChem CID105057853
Molecular FormulaC11H15BrN2OS
Molecular Weight303.23 g/mol
Exact Mass302.01
IUPAC Name5-bromo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]thiophene-3-carboxamide
SMILESO=C(NCC[C@H]1CCCN1)c1csc(Br)c1
InChIInChI=1S/C11H15BrN2OS/c12-10-6-8(7-16-10)11(15)14-5-3-9-2-1-4-13-9/h6-7,9,13H,1-5H2,(H,14,15)/t9-/m1/s1
InChIKeyIRBDSVIIEKJFAR-SECBINFHSA-N
XLogP2.38
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(2R)-pyrrolidin-2-yl]ethyl]thiophene-3-carboxamide
CID 104971690
3-bromo-4-methyl-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793684
N-[2-[(2R)-pyrrolidin-2-yl]ethyl]naphthalene-2-carboxamide
CID 104971760
4-bromo-3-fluoro-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzamide
CID 104955112
N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1H-indole-6-carboxamide
CID 104971741
2-bromo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide
CID 104972061
3-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzene-1,3-dicarboxamide
CID 104955014
5-bromo-N-[2-(cyclopropylamino)ethyl]thiophene-3-carboxamide
CID 103806386
5-bromo-4-methyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]thiophene-2-carboxamide
CID 104955216
5-bromo-N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)thiophene-3-carboxamide
CID 107963789
5-bromo-N-(cyclobutylmethyl)thiophene-3-carboxamide
CID 33383602
2,6-difluoro-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793746

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]thiophene-3-carboxamide (CID 105057853) is 5-bromo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]thiophene-3-carboxamide is O=C(NCC[C@H]1CCCN1)c1csc(Br)c1.
What is the InChIKey of 5-bromo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]thiophene-3-carboxamide?
The InChIKey is IRBDSVIIEKJFAR-SECBINFHSA-N. The full InChI is InChI=1S/C11H15BrN2OS/c12-10-6-8(7-16-10)11(15)14-5-3-9-2-1-4-13-9/h6-7,9,13H,1-5H2,(H,14,15)/t9-/m1/s1.
What are the key properties of 5-bromo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]thiophene-3-carboxamide?
5-bromo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]thiophene-3-carboxamide has a molecular weight of 303.23 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]thiophene-3-carboxamide is sourced from PubChem (CID 105057853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).