[2-(aminomethyl)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone;hydrochloride

C10H14ClIN2OS — CID 119631709

IUPAC[2-(aminomethyl)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone;hydrochloride
SMILESCl.NCC1CCCN1C(=O)c1csc(I)c1
InChIInChI=1S/C10H13IN2OS.ClH/c11-9-4-7(6-15-9)10(14)13-3-1-2-8(13)5-12;/h4,6,8H,1-3,5,12H2;1H
InChIKeyIRSXAKFVMCHXRD-UHFFFAOYSA-N
MW372.66 g/mol
LogP2.34
Rot. Bonds2

About [2-(aminomethyl)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone;hydrochloride

[2-(aminomethyl)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone;hydrochloride (PubChem CID 119631709) has the molecular formula C10H14ClIN2OS and a molecular weight of 372.66 g/mol. Its IUPAC name is [2-(aminomethyl)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[2-(aminomethyl)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone;hydrochloride
PubChem CID119631709
Molecular FormulaC10H14ClIN2OS
Molecular Weight372.66 g/mol
Exact Mass371.96
IUPAC Name[2-(aminomethyl)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone;hydrochloride
SMILESCl.NCC1CCCN1C(=O)c1csc(I)c1
InChIInChI=1S/C10H13IN2OS.ClH/c11-9-4-7(6-15-9)10(14)13-3-1-2-8(13)5-12;/h4,6,8H,1-3,5,12H2;1H
InChIKeyIRSXAKFVMCHXRD-UHFFFAOYSA-N
XLogP2.34
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.66
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

[2-(aminomethyl)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone
CID 81482957
[3-(aminomethyl)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone;hydrochloride
CID 119484110
[2-(aminomethyl)pyrrolidin-1-yl]-(4-bromothiophen-2-yl)methanone
CID 119631128
ethyl 1-(5-iodothiophene-3-carbonyl)pyrrolidine-2-carboxylate
CID 79693514
[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-phenylmethanone
CID 28706917
(5-iodothiophen-3-yl)-(2-phenylpyrrolidin-1-yl)methanone
CID 78949928
4-[4-[2-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]thiophene-2-carboxamide
CID 143191807
[2-(aminomethyl)pyrrolidin-1-yl]-(4-bromophenyl)methanone
CID 66861500
[2-(aminomethyl)pyrrolidin-1-yl]-(4-methylsulfanylphenyl)methanone;hydrochloride
CID 119630987
[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-(3-fluoro-5-methylphenyl)methanone
CID 124576168
[2-(aminomethyl)pyrrolidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone
CID 115312082
[2-(aminomethyl)pyrrolidin-1-yl]-(4-bromo-3-fluorophenyl)methanone;hydrochloride
CID 119631409

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone;hydrochloride?
The IUPAC name of [2-(aminomethyl)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone;hydrochloride (CID 119631709) is [2-(aminomethyl)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone;hydrochloride.
What is the SMILES notation for [2-(aminomethyl)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone;hydrochloride?
The canonical SMILES for [2-(aminomethyl)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone;hydrochloride is Cl.NCC1CCCN1C(=O)c1csc(I)c1.
What is the InChIKey of [2-(aminomethyl)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone;hydrochloride?
The InChIKey is IRSXAKFVMCHXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13IN2OS.ClH/c11-9-4-7(6-15-9)10(14)13-3-1-2-8(13)5-12;/h4,6,8H,1-3,5,12H2;1H.
What are the key properties of [2-(aminomethyl)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone;hydrochloride?
[2-(aminomethyl)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone;hydrochloride has a molecular weight of 372.66 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone;hydrochloride is sourced from PubChem (CID 119631709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).