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

C10H14ClIN2OS — CID 119484110

IUPAC[3-(aminomethyl)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone;hydrochloride
SMILESCl.NCC1CCN(C(=O)c2csc(I)c2)C1
InChIInChI=1S/C10H13IN2OS.ClH/c11-9-3-8(6-15-9)10(14)13-2-1-7(4-12)5-13;/h3,6-7H,1-2,4-5,12H2;1H
InChIKeyGFEJXVQMBLLETK-UHFFFAOYSA-N
MW372.66 g/mol
LogP2.20
Rot. Bonds2

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

[3-(aminomethyl)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone;hydrochloride (PubChem CID 119484110) has the molecular formula C10H14ClIN2OS and a molecular weight of 372.66 g/mol. Its IUPAC name is [3-(aminomethyl)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[3-(aminomethyl)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone;hydrochloride
PubChem CID119484110
Molecular FormulaC10H14ClIN2OS
Molecular Weight372.66 g/mol
Exact Mass371.96
IUPAC Name[3-(aminomethyl)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone;hydrochloride
SMILESCl.NCC1CCN(C(=O)c2csc(I)c2)C1
InChIInChI=1S/C10H13IN2OS.ClH/c11-9-3-8(6-15-9)10(14)13-2-1-7(4-12)5-13;/h3,6-7H,1-2,4-5,12H2;1H
InChIKeyGFEJXVQMBLLETK-UHFFFAOYSA-N
XLogP2.20
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 ≤ 52.20
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

[3-(2-hydroxyethyl)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone
CID 115746358
2-[1-(5-iodothiophene-3-carbonyl)pyrrolidin-3-yl]acetic acid
CID 79684794
(5-iodothiophen-3-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119539259
[4-(hydroxymethyl)piperidin-1-yl]-(5-iodothiophen-3-yl)methanone
CID 79693125
[3-(aminomethyl)pyrrolidin-1-yl]-(4-iodophenyl)methanone
CID 62062850
[4-[(dimethylamino)methyl]piperidin-1-yl]-(5-iodothiophen-3-yl)methanone
CID 78950588
(5-iodothiophen-3-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
CID 119413710
[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone
CID 80553930
[2-(aminomethyl)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone;hydrochloride
CID 119631709
[3-(dimethylamino)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone
CID 78949609
[4-(ethylaminomethyl)piperidin-1-yl]-(5-iodothiophen-3-yl)methanone
CID 80551583
1-(5-iodothiophene-3-carbonyl)piperidine-4-carboxamide
CID 78948632

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone;hydrochloride?
The IUPAC name of [3-(aminomethyl)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone;hydrochloride (CID 119484110) is [3-(aminomethyl)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone;hydrochloride.
What is the SMILES notation for [3-(aminomethyl)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone;hydrochloride?
The canonical SMILES for [3-(aminomethyl)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone;hydrochloride is Cl.NCC1CCN(C(=O)c2csc(I)c2)C1.
What is the InChIKey of [3-(aminomethyl)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone;hydrochloride?
The InChIKey is GFEJXVQMBLLETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13IN2OS.ClH/c11-9-3-8(6-15-9)10(14)13-2-1-7(4-12)5-13;/h3,6-7H,1-2,4-5,12H2;1H.
What are the key properties of [3-(aminomethyl)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone;hydrochloride?
[3-(aminomethyl)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone;hydrochloride has a molecular weight of 372.66 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone;hydrochloride is sourced from PubChem (CID 119484110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).