N-[2-(5-bromothiophen-2-yl)ethyl]pyrrolidine-3-carboxamide;hydrochloride

C11H16BrClN2OS — CID 119699604

IUPACN-[2-(5-bromothiophen-2-yl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCl.O=C(NCCc1ccc(Br)s1)C1CCNC1
InChIInChI=1S/C11H15BrN2OS.ClH/c12-10-2-1-9(16-10)4-6-14-11(15)8-3-5-13-7-8;/h1-2,8,13H,3-7H2,(H,14,15);1H
InChIKeyYXOLVGFNDVPVIA-UHFFFAOYSA-N
MW339.69 g/mol
LogP2.20
Rot. Bonds4

About N-[2-(5-bromothiophen-2-yl)ethyl]pyrrolidine-3-carboxamide;hydrochloride

N-[2-(5-bromothiophen-2-yl)ethyl]pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119699604) has the molecular formula C11H16BrClN2OS and a molecular weight of 339.69 g/mol. Its IUPAC name is N-[2-(5-bromothiophen-2-yl)ethyl]pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(5-bromothiophen-2-yl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
PubChem CID119699604
Molecular FormulaC11H16BrClN2OS
Molecular Weight339.69 g/mol
Exact Mass337.99
IUPAC NameN-[2-(5-bromothiophen-2-yl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCl.O=C(NCCc1ccc(Br)s1)C1CCNC1
InChIInChI=1S/C11H15BrN2OS.ClH/c12-10-2-1-9(16-10)4-6-14-11(15)8-3-5-13-7-8;/h1-2,8,13H,3-7H2,(H,14,15);1H
InChIKeyYXOLVGFNDVPVIA-UHFFFAOYSA-N
XLogP2.20
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.69
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(5-bromothiophen-2-yl)ethyl]-4-hydroxycyclohexane-1-carboxamide
CID 115150875
(3S)-N-[(5-bromothiophen-2-yl)methyl]piperidine-3-carboxamide
CID 81129935
(3S)-N-[2-(5-chlorothiophen-2-yl)ethyl]piperidine-3-carboxamide
CID 106047918
3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]cyclopentane-1-carboxamide
CID 113266074
4-(aminomethyl)-N-[2-(5-bromothiophen-2-yl)ethyl]cyclohexane-1-carboxamide
CID 103808336
N-[2-(5-bromothiophen-2-yl)ethyl]-1,1-dioxothiolane-3-carboxamide
CID 18157738
N-(5-bromothiophen-2-yl)pyrrolidine-3-carboxamide
CID 115159357
(2S,4S)-N-[2-(5-bromothiophen-2-yl)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 124677512
N-(2-thiophen-2-ylethyl)piperidine-3-carboxamide;hydrochloride
CID 119270431
N-[2-(5-bromothiophen-2-yl)ethyl]-3-piperidin-4-ylbutanamide
CID 119699596
N-[2-(5-bromothiophen-2-yl)ethyl]piperazine-1-carboxamide
CID 115171594
N-[2-[[N'-[2-(5-bromothiophen-2-yl)ethyl]-N-ethylcarbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 111863265

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]pyrrolidine-3-carboxamide;hydrochloride (CID 119699604) is N-[2-(5-bromothiophen-2-yl)ethyl]pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(5-bromothiophen-2-yl)ethyl]pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(5-bromothiophen-2-yl)ethyl]pyrrolidine-3-carboxamide;hydrochloride is Cl.O=C(NCCc1ccc(Br)s1)C1CCNC1.
What is the InChIKey of N-[2-(5-bromothiophen-2-yl)ethyl]pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is YXOLVGFNDVPVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2OS.ClH/c12-10-2-1-9(16-10)4-6-14-11(15)8-3-5-13-7-8;/h1-2,8,13H,3-7H2,(H,14,15);1H.
What are the key properties of N-[2-(5-bromothiophen-2-yl)ethyl]pyrrolidine-3-carboxamide;hydrochloride?
N-[2-(5-bromothiophen-2-yl)ethyl]pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 339.69 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromothiophen-2-yl)ethyl]pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119699604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).