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

C11H17ClN2O2S — CID 119631702

IUPAC[2-(aminomethyl)pyrrolidin-1-yl]-(3-methoxythiophen-2-yl)methanone;hydrochloride
SMILESCOc1ccsc1C(=O)N1CCCC1CN.Cl
InChIInChI=1S/C11H16N2O2S.ClH/c1-15-9-4-6-16-10(9)11(14)13-5-2-3-8(13)7-12;/h4,6,8H,2-3,5,7,12H2,1H3;1H
InChIKeyCWMSHODAIAMVSN-UHFFFAOYSA-N
MW276.79 g/mol
LogP1.74
Rot. Bonds3

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

[2-(aminomethyl)pyrrolidin-1-yl]-(3-methoxythiophen-2-yl)methanone;hydrochloride (PubChem CID 119631702) has the molecular formula C11H17ClN2O2S and a molecular weight of 276.79 g/mol. Its IUPAC name is [2-(aminomethyl)pyrrolidin-1-yl]-(3-methoxythiophen-2-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[2-(aminomethyl)pyrrolidin-1-yl]-(3-methoxythiophen-2-yl)methanone;hydrochloride
PubChem CID119631702
Molecular FormulaC11H17ClN2O2S
Molecular Weight276.79 g/mol
Exact Mass276.07
IUPAC Name[2-(aminomethyl)pyrrolidin-1-yl]-(3-methoxythiophen-2-yl)methanone;hydrochloride
SMILESCOc1ccsc1C(=O)N1CCCC1CN.Cl
InChIInChI=1S/C11H16N2O2S.ClH/c1-15-9-4-6-16-10(9)11(14)13-5-2-3-8(13)7-12;/h4,6,8H,2-3,5,7,12H2,1H3;1H
InChIKeyCWMSHODAIAMVSN-UHFFFAOYSA-N
XLogP1.74
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 ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(aminomethyl)-3-methylpiperidin-1-yl]-(3-methoxythiophen-2-yl)methanone;hydrochloride
CID 119597034
[(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(3-methoxythiophen-2-yl)methanone
CID 124596288
[2-(3-bromopropyl)pyrrolidin-1-yl]-(3-methoxythiophen-2-yl)methanone
CID 81129669
1-(3-methoxythiophene-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 81117693
[(2R)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(3-methoxythiophen-2-yl)methanone
CID 129430320
1-(3-methoxythiophene-2-carbonyl)pyrrolidine-2-carbonitrile
CID 81122408
2-[1-(3-methoxythiophene-2-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone
CID 136516635
[4-(aminomethyl)piperidin-1-yl]-(3-methoxythiophen-2-yl)methanone
CID 81122977
[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 28706937
[2-(1-hydroxyethyl)piperidin-1-yl]-(3-methoxythiophen-2-yl)methanone
CID 91660020
[3-(aminomethyl)pyrrolidin-1-yl]-(3-methoxythiophen-2-yl)methanone;hydrochloride
CID 119484103
[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-(4-methoxyphenyl)methanone
CID 28706941

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)pyrrolidin-1-yl]-(3-methoxythiophen-2-yl)methanone;hydrochloride?
The IUPAC name of [2-(aminomethyl)pyrrolidin-1-yl]-(3-methoxythiophen-2-yl)methanone;hydrochloride (CID 119631702) is [2-(aminomethyl)pyrrolidin-1-yl]-(3-methoxythiophen-2-yl)methanone;hydrochloride.
What is the SMILES notation for [2-(aminomethyl)pyrrolidin-1-yl]-(3-methoxythiophen-2-yl)methanone;hydrochloride?
The canonical SMILES for [2-(aminomethyl)pyrrolidin-1-yl]-(3-methoxythiophen-2-yl)methanone;hydrochloride is COc1ccsc1C(=O)N1CCCC1CN.Cl.
What is the InChIKey of [2-(aminomethyl)pyrrolidin-1-yl]-(3-methoxythiophen-2-yl)methanone;hydrochloride?
The InChIKey is CWMSHODAIAMVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S.ClH/c1-15-9-4-6-16-10(9)11(14)13-5-2-3-8(13)7-12;/h4,6,8H,2-3,5,7,12H2,1H3;1H.
What are the key properties of [2-(aminomethyl)pyrrolidin-1-yl]-(3-methoxythiophen-2-yl)methanone;hydrochloride?
[2-(aminomethyl)pyrrolidin-1-yl]-(3-methoxythiophen-2-yl)methanone;hydrochloride has a molecular weight of 276.79 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)pyrrolidin-1-yl]-(3-methoxythiophen-2-yl)methanone;hydrochloride is sourced from PubChem (CID 119631702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).