3-bromo-N-[(4-hydroxypyrrolidin-3-yl)methyl]thiophene-2-carboxamide;hydrochloride

C10H14BrClN2O2S — CID 120945311

IUPAC3-bromo-N-[(4-hydroxypyrrolidin-3-yl)methyl]thiophene-2-carboxamide;hydrochloride
SMILESCl.O=C(NCC1CNCC1O)c1sccc1Br
InChIInChI=1S/C10H13BrN2O2S.ClH/c11-7-1-2-16-9(7)10(15)13-4-6-3-12-5-8(6)14;/h1-2,6,8,12,14H,3-5H2,(H,13,15);1H
InChIKeyMNJGRKSESNDUDM-UHFFFAOYSA-N
MW341.66 g/mol
LogP1.24
Rot. Bonds3

About 3-bromo-N-[(4-hydroxypyrrolidin-3-yl)methyl]thiophene-2-carboxamide;hydrochloride

3-bromo-N-[(4-hydroxypyrrolidin-3-yl)methyl]thiophene-2-carboxamide;hydrochloride (PubChem CID 120945311) has the molecular formula C10H14BrClN2O2S and a molecular weight of 341.66 g/mol. Its IUPAC name is 3-bromo-N-[(4-hydroxypyrrolidin-3-yl)methyl]thiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-bromo-N-[(4-hydroxypyrrolidin-3-yl)methyl]thiophene-2-carboxamide;hydrochloride
PubChem CID120945311
Molecular FormulaC10H14BrClN2O2S
Molecular Weight341.66 g/mol
Exact Mass339.96
IUPAC Name3-bromo-N-[(4-hydroxypyrrolidin-3-yl)methyl]thiophene-2-carboxamide;hydrochloride
SMILESCl.O=C(NCC1CNCC1O)c1sccc1Br
InChIInChI=1S/C10H13BrN2O2S.ClH/c11-7-1-2-16-9(7)10(15)13-4-6-3-12-5-8(6)14;/h1-2,6,8,12,14H,3-5H2,(H,13,15);1H
InChIKeyMNJGRKSESNDUDM-UHFFFAOYSA-N
XLogP1.24
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.66
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-methylthiophene-2-carboxamide;hydrochloride
CID 120944157
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(4-methylphenyl)thiophene-2-carboxamide;hydrochloride
CID 120948558
3-bromo-N-[[2-(chloromethyl)cyclopentyl]methyl]thiophene-2-carboxamide
CID 114306746
N-[2-[(4-hydroxypyrrolidin-3-yl)methylcarbamoyl]thiophen-3-yl]pyridine-4-carboxamide
CID 120945879
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide
CID 120945933
3-bromo-4-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide;hydrochloride
CID 120943825
3-bromo-N-[[(2R)-1,4-dithian-2-yl]methyl]thiophene-2-carboxamide
CID 124569559
3-bromo-N-(2-piperidin-3-ylethyl)thiophene-2-carboxamide;hydrochloride
CID 86777491
2-(2-bromophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide
CID 120946157
2-bromo-6-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide
CID 120944140
3-bromo-N-hydroxythiophene-2-carboxamide;hydrochloride
CID 88521756
5-bromo-N-[(4-hydroxypyrrolidin-3-yl)methyl]furan-3-carboxamide
CID 120943152

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(4-hydroxypyrrolidin-3-yl)methyl]thiophene-2-carboxamide;hydrochloride?
The IUPAC name of 3-bromo-N-[(4-hydroxypyrrolidin-3-yl)methyl]thiophene-2-carboxamide;hydrochloride (CID 120945311) is 3-bromo-N-[(4-hydroxypyrrolidin-3-yl)methyl]thiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for 3-bromo-N-[(4-hydroxypyrrolidin-3-yl)methyl]thiophene-2-carboxamide;hydrochloride?
The canonical SMILES for 3-bromo-N-[(4-hydroxypyrrolidin-3-yl)methyl]thiophene-2-carboxamide;hydrochloride is Cl.O=C(NCC1CNCC1O)c1sccc1Br.
What is the InChIKey of 3-bromo-N-[(4-hydroxypyrrolidin-3-yl)methyl]thiophene-2-carboxamide;hydrochloride?
The InChIKey is MNJGRKSESNDUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O2S.ClH/c11-7-1-2-16-9(7)10(15)13-4-6-3-12-5-8(6)14;/h1-2,6,8,12,14H,3-5H2,(H,13,15);1H.
What are the key properties of 3-bromo-N-[(4-hydroxypyrrolidin-3-yl)methyl]thiophene-2-carboxamide;hydrochloride?
3-bromo-N-[(4-hydroxypyrrolidin-3-yl)methyl]thiophene-2-carboxamide;hydrochloride has a molecular weight of 341.66 g/mol, XLogP of 1.24, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(4-hydroxypyrrolidin-3-yl)methyl]thiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 120945311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).