5-bromo-4-methyl-N-[[(3S)-pyrrolidin-3-yl]methyl]thiophene-2-carboxamide

C11H15BrN2OS — CID 58748328

IUPAC5-bromo-4-methyl-N-[[(3S)-pyrrolidin-3-yl]methyl]thiophene-2-carboxamide
SMILESCc1cc(C(=O)NC[C@H]2CCNC2)sc1Br
InChIInChI=1S/C11H15BrN2OS/c1-7-4-9(16-10(7)12)11(15)14-6-8-2-3-13-5-8/h4,8,13H,2-3,5-6H2,1H3,(H,14,15)/t8-/m0/s1
InChIKeyYIFLXQWQQGTHTE-QMMMGPOBSA-N
MW303.23 g/mol
LogP2.16
Rot. Bonds3

About 5-bromo-4-methyl-N-[[(3S)-pyrrolidin-3-yl]methyl]thiophene-2-carboxamide

5-bromo-4-methyl-N-[[(3S)-pyrrolidin-3-yl]methyl]thiophene-2-carboxamide (PubChem CID 58748328) has the molecular formula C11H15BrN2OS and a molecular weight of 303.23 g/mol. Its IUPAC name is 5-bromo-4-methyl-N-[[(3S)-pyrrolidin-3-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-4-methyl-N-[[(3S)-pyrrolidin-3-yl]methyl]thiophene-2-carboxamide
PubChem CID58748328
Molecular FormulaC11H15BrN2OS
Molecular Weight303.23 g/mol
Exact Mass302.01
IUPAC Name5-bromo-4-methyl-N-[[(3S)-pyrrolidin-3-yl]methyl]thiophene-2-carboxamide
SMILESCc1cc(C(=O)NC[C@H]2CCNC2)sc1Br
InChIInChI=1S/C11H15BrN2OS/c1-7-4-9(16-10(7)12)11(15)14-6-8-2-3-13-5-8/h4,8,13H,2-3,5-6H2,1H3,(H,14,15)/t8-/m0/s1
InChIKeyYIFLXQWQQGTHTE-QMMMGPOBSA-N
XLogP2.16
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-4-methyl-N-[(1-methylpiperidin-4-yl)methyl]thiophene-2-carboxamide
CID 79965148
5-bromo-4-methyl-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide
CID 103866666
2,4,5-trimethyl-N-(pyrrolidin-3-ylmethyl)benzamide
CID 115271836
5-bromo-4-methyl-N-(2-piperidin-4-yloxyethyl)thiophene-2-carboxamide
CID 79990881
5-bromo-N-[[2-(hydroxymethyl)cyclohexyl]methyl]-4-methylthiophene-2-carboxamide
CID 79990416
5-bromo-4-methyl-N-(thian-2-ylmethyl)thiophene-2-carboxamide
CID 80600317
N-(pyrrolidin-3-ylmethyl)thiophene-2-carboxamide
CID 71645410
3-methyl-N-(pyrrolidin-3-ylmethyl)thiophene-2-carboxamide;hydrochloride
CID 71638244
5-bromo-4-methyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]thiophene-2-carboxamide
CID 104955216
5-bromo-N-[2-(cyclopropylamino)-2-oxoethyl]-4-methylthiophene-2-carboxamide
CID 79929074
4,5-dibromo-N-[[(3S)-pyrrolidin-3-yl]methyl]-1H-pyrrole-2-carboxamide
CID 58748196
5-bromo-N-ethyl-4-methyl-N-piperidin-4-ylthiophene-2-carboxamide
CID 79990331

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-N-[[(3S)-pyrrolidin-3-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of 5-bromo-4-methyl-N-[[(3S)-pyrrolidin-3-yl]methyl]thiophene-2-carboxamide (CID 58748328) is 5-bromo-4-methyl-N-[[(3S)-pyrrolidin-3-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-4-methyl-N-[[(3S)-pyrrolidin-3-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-4-methyl-N-[[(3S)-pyrrolidin-3-yl]methyl]thiophene-2-carboxamide is Cc1cc(C(=O)NC[C@H]2CCNC2)sc1Br.
What is the InChIKey of 5-bromo-4-methyl-N-[[(3S)-pyrrolidin-3-yl]methyl]thiophene-2-carboxamide?
The InChIKey is YIFLXQWQQGTHTE-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H15BrN2OS/c1-7-4-9(16-10(7)12)11(15)14-6-8-2-3-13-5-8/h4,8,13H,2-3,5-6H2,1H3,(H,14,15)/t8-/m0/s1.
What are the key properties of 5-bromo-4-methyl-N-[[(3S)-pyrrolidin-3-yl]methyl]thiophene-2-carboxamide?
5-bromo-4-methyl-N-[[(3S)-pyrrolidin-3-yl]methyl]thiophene-2-carboxamide has a molecular weight of 303.23 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methyl-N-[[(3S)-pyrrolidin-3-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 58748328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).