1-[2-(methylaminomethyl)pyrrolidin-1-yl]-4-(5-methylthiophen-2-yl)butan-1-one;hydrochloride

C15H25ClN2OS — CID 119651768

IUPAC1-[2-(methylaminomethyl)pyrrolidin-1-yl]-4-(5-methylthiophen-2-yl)butan-1-one;hydrochloride
SMILESCNCC1CCCN1C(=O)CCCc1ccc(C)s1.Cl
InChIInChI=1S/C15H24N2OS.ClH/c1-12-8-9-14(19-12)6-3-7-15(18)17-10-4-5-13(17)11-16-2;/h8-9,13,16H,3-7,10-11H2,1-2H3;1H
InChIKeyVIWIVBAVQPWEOP-UHFFFAOYSA-N
MW316.90 g/mol
LogP3.01
Rot. Bonds6

About 1-[2-(methylaminomethyl)pyrrolidin-1-yl]-4-(5-methylthiophen-2-yl)butan-1-one;hydrochloride

1-[2-(methylaminomethyl)pyrrolidin-1-yl]-4-(5-methylthiophen-2-yl)butan-1-one;hydrochloride (PubChem CID 119651768) has the molecular formula C15H25ClN2OS and a molecular weight of 316.90 g/mol. Its IUPAC name is 1-[2-(methylaminomethyl)pyrrolidin-1-yl]-4-(5-methylthiophen-2-yl)butan-1-one;hydrochloride.

Molecular Properties

Compound Name1-[2-(methylaminomethyl)pyrrolidin-1-yl]-4-(5-methylthiophen-2-yl)butan-1-one;hydrochloride
PubChem CID119651768
Molecular FormulaC15H25ClN2OS
Molecular Weight316.90 g/mol
Exact Mass316.14
IUPAC Name1-[2-(methylaminomethyl)pyrrolidin-1-yl]-4-(5-methylthiophen-2-yl)butan-1-one;hydrochloride
SMILESCNCC1CCCN1C(=O)CCCc1ccc(C)s1.Cl
InChIInChI=1S/C15H24N2OS.ClH/c1-12-8-9-14(19-12)6-3-7-15(18)17-10-4-5-13(17)11-16-2;/h8-9,13,16H,3-7,10-11H2,1-2H3;1H
InChIKeyVIWIVBAVQPWEOP-UHFFFAOYSA-N
XLogP3.01
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.90
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-(methylaminomethyl)pyrrolidin-1-yl]-4-(5-methylthiophen-2-yl)butan-1-one;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(aminomethyl)piperidin-1-yl]-4-(5-methylthiophen-2-yl)butan-1-one;hydrochloride
CID 119469364
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-4-phenylbutan-1-one
CID 81483955
4-(2,5-dichlorothiophen-3-yl)-1-[2-(methylaminomethyl)pyrrolidin-1-yl]butan-1-one;hydrochloride
CID 119651775
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-(4-methylphenyl)propan-1-one
CID 81484038
5-[4-[2-(methylaminomethyl)pyrrolidin-1-yl]-4-oxobutyl]-1,3-dihydrobenzimidazol-2-one
CID 119651216
1-[(2S)-2-(methylaminomethyl)pyrrolidin-1-yl]-3-(2-methylphenyl)propan-1-one
CID 124569843
3-(4-chlorophenyl)-1-[2-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 119649112
3-(4-bromophenyl)-1-[2-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 119651279
4-cyclopentyl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]butan-1-one
CID 119652276
(3S)-1-[4-(5-methylthiophen-2-yl)butanoyl]piperidine-3-carboxylic acid
CID 99623166
N-[4-[2-(methylaminomethyl)pyrrolidin-1-yl]-4-oxobutyl]thiophene-3-carboxamide;hydrochloride
CID 119649653
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone;hydrochloride
CID 119650884

Frequently Asked Questions

What is the IUPAC name of 1-[2-(methylaminomethyl)pyrrolidin-1-yl]-4-(5-methylthiophen-2-yl)butan-1-one;hydrochloride?
The IUPAC name of 1-[2-(methylaminomethyl)pyrrolidin-1-yl]-4-(5-methylthiophen-2-yl)butan-1-one;hydrochloride (CID 119651768) is 1-[2-(methylaminomethyl)pyrrolidin-1-yl]-4-(5-methylthiophen-2-yl)butan-1-one;hydrochloride.
What is the SMILES notation for 1-[2-(methylaminomethyl)pyrrolidin-1-yl]-4-(5-methylthiophen-2-yl)butan-1-one;hydrochloride?
The canonical SMILES for 1-[2-(methylaminomethyl)pyrrolidin-1-yl]-4-(5-methylthiophen-2-yl)butan-1-one;hydrochloride is CNCC1CCCN1C(=O)CCCc1ccc(C)s1.Cl.
What is the InChIKey of 1-[2-(methylaminomethyl)pyrrolidin-1-yl]-4-(5-methylthiophen-2-yl)butan-1-one;hydrochloride?
The InChIKey is VIWIVBAVQPWEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS.ClH/c1-12-8-9-14(19-12)6-3-7-15(18)17-10-4-5-13(17)11-16-2;/h8-9,13,16H,3-7,10-11H2,1-2H3;1H.
What are the key properties of 1-[2-(methylaminomethyl)pyrrolidin-1-yl]-4-(5-methylthiophen-2-yl)butan-1-one;hydrochloride?
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-4-(5-methylthiophen-2-yl)butan-1-one;hydrochloride has a molecular weight of 316.90 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methylaminomethyl)pyrrolidin-1-yl]-4-(5-methylthiophen-2-yl)butan-1-one;hydrochloride is sourced from PubChem (CID 119651768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).