(3-aminopyrrolidin-1-yl)-(5-bromothiophen-3-yl)methanone;hydrochloride

C9H12BrClN2OS — CID 119483030

IUPAC(3-aminopyrrolidin-1-yl)-(5-bromothiophen-3-yl)methanone;hydrochloride
SMILESCl.NC1CCN(C(=O)c2csc(Br)c2)C1
InChIInChI=1S/C9H11BrN2OS.ClH/c10-8-3-6(5-14-8)9(13)12-2-1-7(11)4-12;/h3,5,7H,1-2,4,11H2;1H
InChIKeyHKACUZFUPAKGRL-UHFFFAOYSA-N
MW311.63 g/mol
LogP2.11
Rot. Bonds1

About (3-aminopyrrolidin-1-yl)-(5-bromothiophen-3-yl)methanone;hydrochloride

(3-aminopyrrolidin-1-yl)-(5-bromothiophen-3-yl)methanone;hydrochloride (PubChem CID 119483030) has the molecular formula C9H12BrClN2OS and a molecular weight of 311.63 g/mol. Its IUPAC name is (3-aminopyrrolidin-1-yl)-(5-bromothiophen-3-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(3-aminopyrrolidin-1-yl)-(5-bromothiophen-3-yl)methanone;hydrochloride
PubChem CID119483030
Molecular FormulaC9H12BrClN2OS
Molecular Weight311.63 g/mol
Exact Mass309.95
IUPAC Name(3-aminopyrrolidin-1-yl)-(5-bromothiophen-3-yl)methanone;hydrochloride
SMILESCl.NC1CCN(C(=O)c2csc(Br)c2)C1
InChIInChI=1S/C9H11BrN2OS.ClH/c10-8-3-6(5-14-8)9(13)12-2-1-7(11)4-12;/h3,5,7H,1-2,4,11H2;1H
InChIKeyHKACUZFUPAKGRL-UHFFFAOYSA-N
XLogP2.11
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.63
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S)-3-aminopyrrolidin-1-yl]-(4-bromothiophen-2-yl)methanone;hydrochloride
CID 119934163
[4-(aminomethyl)piperidin-1-yl]-(5-bromothiophen-3-yl)methanone
CID 103805374
1-(5-bromothiophene-3-carbonyl)piperidine-4-carboxylic acid
CID 43354162
(5-bromothiophen-3-yl)-(4-propylpiperidin-1-yl)methanone
CID 62204901
[(3R)-3-aminopyrrolidin-1-yl]-(5-bromo-1H-pyrrol-3-yl)methanone;hydrochloride
CID 131101757
2-[1-(5-bromothiophene-3-carbonyl)azetidin-3-yl]acetic acid
CID 64603552
(3-aminopyrrolidin-1-yl)-(3,4-dimethylphenyl)methanone;hydrochloride
CID 119483089
[(3R)-3-aminopyrrolidin-1-yl]-(3,5-dihydroxyphenyl)methanone
CID 107705169
[(3S)-3-aminopyrrolidin-1-yl]-(3-bromo-4-fluorophenyl)methanone;hydrochloride
CID 119934528
3-[1-(5-bromothiophene-3-carbonyl)piperidin-4-yl]propanoic acid
CID 62217831
(3-aminopyrrolidin-1-yl)-(3-bromo-5-fluorophenyl)methanone
CID 62067197
(5-bromothiophen-3-yl)-piperazin-1-ylmethanone;hydrochloride
CID 119403242

Frequently Asked Questions

What is the IUPAC name of (3-aminopyrrolidin-1-yl)-(5-bromothiophen-3-yl)methanone;hydrochloride?
The IUPAC name of (3-aminopyrrolidin-1-yl)-(5-bromothiophen-3-yl)methanone;hydrochloride (CID 119483030) is (3-aminopyrrolidin-1-yl)-(5-bromothiophen-3-yl)methanone;hydrochloride.
What is the SMILES notation for (3-aminopyrrolidin-1-yl)-(5-bromothiophen-3-yl)methanone;hydrochloride?
The canonical SMILES for (3-aminopyrrolidin-1-yl)-(5-bromothiophen-3-yl)methanone;hydrochloride is Cl.NC1CCN(C(=O)c2csc(Br)c2)C1.
What is the InChIKey of (3-aminopyrrolidin-1-yl)-(5-bromothiophen-3-yl)methanone;hydrochloride?
The InChIKey is HKACUZFUPAKGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2OS.ClH/c10-8-3-6(5-14-8)9(13)12-2-1-7(11)4-12;/h3,5,7H,1-2,4,11H2;1H.
What are the key properties of (3-aminopyrrolidin-1-yl)-(5-bromothiophen-3-yl)methanone;hydrochloride?
(3-aminopyrrolidin-1-yl)-(5-bromothiophen-3-yl)methanone;hydrochloride has a molecular weight of 311.63 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopyrrolidin-1-yl)-(5-bromothiophen-3-yl)methanone;hydrochloride is sourced from PubChem (CID 119483030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).