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

C11H15BrN2OS — CID 103866666

IUPAC5-bromo-4-methyl-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide
SMILESCc1cc(C(=O)N[C@H]2CCCNC2)sc1Br
InChIInChI=1S/C11H15BrN2OS/c1-7-5-9(16-10(7)12)11(15)14-8-3-2-4-13-6-8/h5,8,13H,2-4,6H2,1H3,(H,14,15)/t8-/m0/s1
InChIKeyWBEQEVSEPMOEAD-QMMMGPOBSA-N
MW303.23 g/mol
LogP2.30
Rot. Bonds2

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

5-bromo-4-methyl-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide (PubChem CID 103866666) has the molecular formula C11H15BrN2OS and a molecular weight of 303.23 g/mol. Its IUPAC name is 5-bromo-4-methyl-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-4-methyl-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide
PubChem CID103866666
Molecular FormulaC11H15BrN2OS
Molecular Weight303.23 g/mol
Exact Mass302.01
IUPAC Name5-bromo-4-methyl-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide
SMILESCc1cc(C(=O)N[C@H]2CCCNC2)sc1Br
InChIInChI=1S/C11H15BrN2OS/c1-7-5-9(16-10(7)12)11(15)14-8-3-2-4-13-6-8/h5,8,13H,2-4,6H2,1H3,(H,14,15)/t8-/m0/s1
InChIKeyWBEQEVSEPMOEAD-QMMMGPOBSA-N
XLogP2.30
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-dibromo-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide
CID 103866520
4,5-dibromo-N-piperidin-3-ylthiophene-2-carboxamide
CID 80537940
5-bromo-N-cyclooctyl-4-methylthiophene-2-carboxamide
CID 79998727
4,7-dibromo-N-piperidin-3-yl-1-benzothiophene-2-carboxamide
CID 145194357
5-bromo-4-methyl-N-[[(3S)-pyrrolidin-3-yl]methyl]thiophene-2-carboxamide
CID 58748328
5-methyl-N-piperidin-3-yl-1-benzothiophene-2-carboxamide
CID 145194354
5-bromo-4-methyl-N-(oxolan-3-yl)thiophene-2-carboxamide
CID 80712681
N-[(3S)-piperidin-3-yl]thieno[3,2-b]thiophene-5-carboxamide
CID 103866540
2,6-dimethyl-N-piperidin-3-ylbenzamide
CID 114025985
N-piperidin-3-yl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide;hydrochloride
CID 119425525
N-(azepan-3-yl)-5-bromo-2-methylbenzamide
CID 65311485
5-bromo-4-methyl-N-[(3S)-piperidin-3-yl]thiophene-2-sulfonamide
CID 104982659

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide?
The IUPAC name of 5-bromo-4-methyl-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide (CID 103866666) is 5-bromo-4-methyl-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-4-methyl-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-4-methyl-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide is Cc1cc(C(=O)N[C@H]2CCCNC2)sc1Br.
What is the InChIKey of 5-bromo-4-methyl-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide?
The InChIKey is WBEQEVSEPMOEAD-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H15BrN2OS/c1-7-5-9(16-10(7)12)11(15)14-8-3-2-4-13-6-8/h5,8,13H,2-4,6H2,1H3,(H,14,15)/t8-/m0/s1.
What are the key properties of 5-bromo-4-methyl-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide?
5-bromo-4-methyl-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide has a molecular weight of 303.23 g/mol, XLogP of 2.30, 2 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)-piperidin-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 103866666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).