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

C10H14ClIN2OS — CID 119413710

IUPAC(5-iodothiophen-3-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
SMILESCNC1CCN(C(=O)c2csc(I)c2)C1.Cl
InChIInChI=1S/C10H13IN2OS.ClH/c1-12-8-2-3-13(5-8)10(14)7-4-9(11)15-6-7;/h4,6,8,12H,2-3,5H2,1H3;1H
InChIKeyXDHZHQBXKADEIF-UHFFFAOYSA-N
MW372.66 g/mol
LogP2.21
Rot. Bonds2

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

(5-iodothiophen-3-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride (PubChem CID 119413710) has the molecular formula C10H14ClIN2OS and a molecular weight of 372.66 g/mol. Its IUPAC name is (5-iodothiophen-3-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(5-iodothiophen-3-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
PubChem CID119413710
Molecular FormulaC10H14ClIN2OS
Molecular Weight372.66 g/mol
Exact Mass371.96
IUPAC Name(5-iodothiophen-3-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
SMILESCNC1CCN(C(=O)c2csc(I)c2)C1.Cl
InChIInChI=1S/C10H13IN2OS.ClH/c1-12-8-2-3-13(5-8)10(14)7-4-9(11)15-6-7;/h4,6,8,12H,2-3,5H2,1H3;1H
InChIKeyXDHZHQBXKADEIF-UHFFFAOYSA-N
XLogP2.21
TPSA32.34 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 ≤ 52.21
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

(5-iodothiophen-3-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119539259
N-[1-(5-iodothiophene-3-carbonyl)piperidin-4-yl]acetamide
CID 113233340
N-[1-(5-iodothiophene-3-carbonyl)piperidin-3-yl]acetamide
CID 78948823
[3-(dimethylamino)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone
CID 78949609
[3-(aminomethyl)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone;hydrochloride
CID 119484110
N-[1-(5-iodothiophene-3-carbonyl)piperidin-4-yl]butanamide
CID 78949086
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone
CID 115746358
(4-bromopiperidin-1-yl)-(5-iodothiophen-3-yl)methanone
CID 80661761
methyl (3S)-1-(5-iodothiophene-3-carbonyl)piperidine-3-carboxylate
CID 78949048
2-[1-(5-iodothiophene-3-carbonyl)pyrrolidin-3-yl]acetic acid
CID 79684794
(3-bromopiperidin-1-yl)-(5-iodothiophen-3-yl)methanone
CID 80660863
(3,5-dimethoxyphenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
CID 119413635

Frequently Asked Questions

What is the IUPAC name of (5-iodothiophen-3-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride?
The IUPAC name of (5-iodothiophen-3-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride (CID 119413710) is (5-iodothiophen-3-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (5-iodothiophen-3-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride?
The canonical SMILES for (5-iodothiophen-3-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride is CNC1CCN(C(=O)c2csc(I)c2)C1.Cl.
What is the InChIKey of (5-iodothiophen-3-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride?
The InChIKey is XDHZHQBXKADEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13IN2OS.ClH/c1-12-8-2-3-13(5-8)10(14)7-4-9(11)15-6-7;/h4,6,8,12H,2-3,5H2,1H3;1H.
What are the key properties of (5-iodothiophen-3-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride?
(5-iodothiophen-3-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride has a molecular weight of 372.66 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-iodothiophen-3-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119413710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).