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

C11H17ClN2O2S — CID 119484103

IUPAC[3-(aminomethyl)pyrrolidin-1-yl]-(3-methoxythiophen-2-yl)methanone;hydrochloride
SMILESCOc1ccsc1C(=O)N1CCC(CN)C1.Cl
InChIInChI=1S/C11H16N2O2S.ClH/c1-15-9-3-5-16-10(9)11(14)13-4-2-8(6-12)7-13;/h3,5,8H,2,4,6-7,12H2,1H3;1H
InChIKeyWXYSTBFALYVZFN-UHFFFAOYSA-N
MW276.79 g/mol
LogP1.60
Rot. Bonds3

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

[3-(aminomethyl)pyrrolidin-1-yl]-(3-methoxythiophen-2-yl)methanone;hydrochloride (PubChem CID 119484103) has the molecular formula C11H17ClN2O2S and a molecular weight of 276.79 g/mol. Its IUPAC name is [3-(aminomethyl)pyrrolidin-1-yl]-(3-methoxythiophen-2-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[3-(aminomethyl)pyrrolidin-1-yl]-(3-methoxythiophen-2-yl)methanone;hydrochloride
PubChem CID119484103
Molecular FormulaC11H17ClN2O2S
Molecular Weight276.79 g/mol
Exact Mass276.07
IUPAC Name[3-(aminomethyl)pyrrolidin-1-yl]-(3-methoxythiophen-2-yl)methanone;hydrochloride
SMILESCOc1ccsc1C(=O)N1CCC(CN)C1.Cl
InChIInChI=1S/C11H16N2O2S.ClH/c1-15-9-3-5-16-10(9)11(14)13-4-2-8(6-12)7-13;/h3,5,8H,2,4,6-7,12H2,1H3;1H
InChIKeyWXYSTBFALYVZFN-UHFFFAOYSA-N
XLogP1.60
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.79
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(aminomethyl)piperidin-1-yl]-(3-methoxythiophen-2-yl)methanone
CID 81122977
(3-methoxythiophen-2-yl)-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124596275
[4-(chloromethyl)piperidin-1-yl]-(3-methoxythiophen-2-yl)methanone
CID 81129658
[3-(aminomethyl)pyrrolidin-1-yl]-[3-(4-methylphenyl)thiophen-2-yl]methanone;hydrochloride
CID 119483382
[3-(2-bromoethyl)piperidin-1-yl]-(3-methoxythiophen-2-yl)methanone
CID 81129209
methyl 1-(3-methoxythiophene-2-carbonyl)pyrrolidine-3-carboxylate
CID 78945614
1-(3-methoxythiophene-2-carbonyl)piperidine-4-carbonitrile
CID 78945788
[3-(aminomethyl)pyrrolidin-1-yl]-(2,4,5-trimethoxyphenyl)methanone;hydrochloride
CID 119485177
[2-(aminomethyl)pyrrolidin-1-yl]-(3-methoxythiophen-2-yl)methanone;hydrochloride
CID 119631702
[3-(aminomethyl)pyrrolidin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 62063554
[3-(aminomethyl)pyrrolidin-1-yl]-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone;hydrochloride
CID 119483874
[3-(aminomethyl)pyrrolidin-1-yl]-(2-methoxy-5-methylphenyl)methanone
CID 62504749

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)pyrrolidin-1-yl]-(3-methoxythiophen-2-yl)methanone;hydrochloride?
The IUPAC name of [3-(aminomethyl)pyrrolidin-1-yl]-(3-methoxythiophen-2-yl)methanone;hydrochloride (CID 119484103) is [3-(aminomethyl)pyrrolidin-1-yl]-(3-methoxythiophen-2-yl)methanone;hydrochloride.
What is the SMILES notation for [3-(aminomethyl)pyrrolidin-1-yl]-(3-methoxythiophen-2-yl)methanone;hydrochloride?
The canonical SMILES for [3-(aminomethyl)pyrrolidin-1-yl]-(3-methoxythiophen-2-yl)methanone;hydrochloride is COc1ccsc1C(=O)N1CCC(CN)C1.Cl.
What is the InChIKey of [3-(aminomethyl)pyrrolidin-1-yl]-(3-methoxythiophen-2-yl)methanone;hydrochloride?
The InChIKey is WXYSTBFALYVZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S.ClH/c1-15-9-3-5-16-10(9)11(14)13-4-2-8(6-12)7-13;/h3,5,8H,2,4,6-7,12H2,1H3;1H.
What are the key properties of [3-(aminomethyl)pyrrolidin-1-yl]-(3-methoxythiophen-2-yl)methanone;hydrochloride?
[3-(aminomethyl)pyrrolidin-1-yl]-(3-methoxythiophen-2-yl)methanone;hydrochloride has a molecular weight of 276.79 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)pyrrolidin-1-yl]-(3-methoxythiophen-2-yl)methanone;hydrochloride is sourced from PubChem (CID 119484103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).