N-[1-[(3R)-3-aminopyrrolidin-1-yl]-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide;hydrochloride

C12H17BrClN3O2S — CID 119412744

IUPACN-[1-[(3R)-3-aminopyrrolidin-1-yl]-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide;hydrochloride
SMILESCC(NC(=O)c1ccc(Br)s1)C(=O)N1CC[C@@H](N)C1.Cl
InChIInChI=1S/C12H16BrN3O2S.ClH/c1-7(12(18)16-5-4-8(14)6-16)15-11(17)9-2-3-10(13)19-9;/h2-3,7-8H,4-6,14H2,1H3,(H,15,17);1H/t7?,8-;/m1./s1
InChIKeyPIOUSSZKVSFHQK-LTTWWRRRSA-N
MW382.71 g/mol
LogP1.61
Rot. Bonds3

About N-[1-[(3R)-3-aminopyrrolidin-1-yl]-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide;hydrochloride

N-[1-[(3R)-3-aminopyrrolidin-1-yl]-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide;hydrochloride (PubChem CID 119412744) has the molecular formula C12H17BrClN3O2S and a molecular weight of 382.71 g/mol. Its IUPAC name is N-[1-[(3R)-3-aminopyrrolidin-1-yl]-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-[(3R)-3-aminopyrrolidin-1-yl]-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide;hydrochloride
PubChem CID119412744
Molecular FormulaC12H17BrClN3O2S
Molecular Weight382.71 g/mol
Exact Mass380.99
IUPAC NameN-[1-[(3R)-3-aminopyrrolidin-1-yl]-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide;hydrochloride
SMILESCC(NC(=O)c1ccc(Br)s1)C(=O)N1CC[C@@H](N)C1.Cl
InChIInChI=1S/C12H16BrN3O2S.ClH/c1-7(12(18)16-5-4-8(14)6-16)15-11(17)9-2-3-10(13)19-9;/h2-3,7-8H,4-6,14H2,1H3,(H,15,17);1H/t7?,8-;/m1./s1
InChIKeyPIOUSSZKVSFHQK-LTTWWRRRSA-N
XLogP1.61
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.71
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-[(3R)-3-aminopyrrolidin-1-yl]-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide;hydrochloride with MolForge

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Related Compounds

5-bromo-N-[1-[(3R)-3-hydroxypyrrolidin-1-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 111561729
N-[1-[4-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide;hydrochloride
CID 119520209
5-bromo-N-[1-[3-(methylamino)piperidin-1-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide;hydrochloride
CID 119492735
5-bromo-N-[1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 55832880
5-bromo-N-[1-oxo-1-[4-(propylsulfonylamino)piperidin-1-yl]propan-2-yl]thiophene-2-carboxamide
CID 55851168
(2R)-1-[(2S)-2-[(5-bromothiophene-2-carbonyl)amino]propanoyl]piperidine-2-carboxylic acid
CID 99639632
1-[2-[(5-bromothiophene-2-carbonyl)amino]propanoyl]piperidine-2-carboxylic acid
CID 102559913
1-[1-[(3R)-3-aminopyrrolidin-1-yl]-1-oxopropan-2-yl]-3-phenylurea;hydrochloride
CID 119411142
N-[1-[(3R)-3-aminopyrrolidin-1-yl]-1-oxopropan-2-yl]-2,3-dichlorobenzamide
CID 119412842
5-bromo-N-(3-oxobutan-2-yl)thiophene-2-carboxamide
CID 64997082
5-bromo-N-[1-oxo-1-(2-thiophen-2-ylpyrrolidin-1-yl)propan-2-yl]thiophene-2-carboxamide
CID 55822134
5-bromo-N-[1-[4-(3-chlorobenzoyl)piperazin-1-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 55823915

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3R)-3-aminopyrrolidin-1-yl]-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide;hydrochloride?
The IUPAC name of N-[1-[(3R)-3-aminopyrrolidin-1-yl]-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide;hydrochloride (CID 119412744) is N-[1-[(3R)-3-aminopyrrolidin-1-yl]-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-[(3R)-3-aminopyrrolidin-1-yl]-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide;hydrochloride?
The canonical SMILES for N-[1-[(3R)-3-aminopyrrolidin-1-yl]-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide;hydrochloride is CC(NC(=O)c1ccc(Br)s1)C(=O)N1CC[C@@H](N)C1.Cl.
What is the InChIKey of N-[1-[(3R)-3-aminopyrrolidin-1-yl]-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide;hydrochloride?
The InChIKey is PIOUSSZKVSFHQK-LTTWWRRRSA-N. The full InChI is InChI=1S/C12H16BrN3O2S.ClH/c1-7(12(18)16-5-4-8(14)6-16)15-11(17)9-2-3-10(13)19-9;/h2-3,7-8H,4-6,14H2,1H3,(H,15,17);1H/t7?,8-;/m1./s1.
What are the key properties of N-[1-[(3R)-3-aminopyrrolidin-1-yl]-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide;hydrochloride?
N-[1-[(3R)-3-aminopyrrolidin-1-yl]-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide;hydrochloride has a molecular weight of 382.71 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3R)-3-aminopyrrolidin-1-yl]-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 119412744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).