4,5-dibromo-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide

C10H12Br2N2OS — CID 103866520

IUPAC4,5-dibromo-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide
SMILESO=C(N[C@H]1CCCNC1)c1cc(Br)c(Br)s1
InChIInChI=1S/C10H12Br2N2OS/c11-7-4-8(16-9(7)12)10(15)14-6-2-1-3-13-5-6/h4,6,13H,1-3,5H2,(H,14,15)/t6-/m0/s1
InChIKeyDRHRJXMAEKTVBF-LURJTMIESA-N
MW368.09 g/mol
LogP2.75
Rot. Bonds2

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

4,5-dibromo-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide (PubChem CID 103866520) has the molecular formula C10H12Br2N2OS and a molecular weight of 368.09 g/mol. Its IUPAC name is 4,5-dibromo-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide
PubChem CID103866520
Molecular FormulaC10H12Br2N2OS
Molecular Weight368.09 g/mol
Exact Mass365.90
IUPAC Name4,5-dibromo-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide
SMILESO=C(N[C@H]1CCCNC1)c1cc(Br)c(Br)s1
InChIInChI=1S/C10H12Br2N2OS/c11-7-4-8(16-9(7)12)10(15)14-6-2-1-3-13-5-6/h4,6,13H,1-3,5H2,(H,14,15)/t6-/m0/s1
InChIKeyDRHRJXMAEKTVBF-LURJTMIESA-N
XLogP2.75
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.09
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-dibromo-N-piperidin-3-ylthiophene-2-carboxamide
CID 80537940
5-bromo-4-methyl-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide
CID 103866666
4,5-dibromo-N-cycloheptylthiophene-2-carboxamide
CID 9217766
4,7-dibromo-N-piperidin-3-yl-1-benzothiophene-2-carboxamide
CID 145194357
N-[(3S)-piperidin-3-yl]thieno[3,2-b]thiophene-5-carboxamide
CID 103866540
N-piperidin-3-yl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide;hydrochloride
CID 119425525
4,5-dibromo-N-(1-cyclopropylpiperidin-4-yl)thiophene-2-carboxamide
CID 112725100
6-fluoro-N-[(3S)-piperidin-3-yl]-1-benzothiophene-2-carboxamide
CID 104982451
5-methyl-N-piperidin-3-yl-1-benzothiophene-2-carboxamide
CID 145194354
5-chloro-4-nitro-N-piperidin-3-ylthiophene-2-carboxamide
CID 112530952
5-bromo-N-piperidin-3-ylfuran-3-carboxamide;hydrochloride
CID 119425749
N-(azepan-3-yl)thieno[3,2-b]thiophene-5-carboxamide
CID 80745817

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide (CID 103866520) is 4,5-dibromo-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide is O=C(N[C@H]1CCCNC1)c1cc(Br)c(Br)s1.
What is the InChIKey of 4,5-dibromo-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide?
The InChIKey is DRHRJXMAEKTVBF-LURJTMIESA-N. The full InChI is InChI=1S/C10H12Br2N2OS/c11-7-4-8(16-9(7)12)10(15)14-6-2-1-3-13-5-6/h4,6,13H,1-3,5H2,(H,14,15)/t6-/m0/s1.
What are the key properties of 4,5-dibromo-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide?
4,5-dibromo-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide has a molecular weight of 368.09 g/mol, XLogP of 2.75, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 103866520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).