4-(2,5-dichlorothiophen-3-yl)-1-[2-(methylaminomethyl)pyrrolidin-1-yl]butan-1-one;hydrochloride

C14H21Cl3N2OS — CID 119651775

IUPAC4-(2,5-dichlorothiophen-3-yl)-1-[2-(methylaminomethyl)pyrrolidin-1-yl]butan-1-one;hydrochloride
SMILESCNCC1CCCN1C(=O)CCCc1cc(Cl)sc1Cl.Cl
InChIInChI=1S/C14H20Cl2N2OS.ClH/c1-17-9-11-5-3-7-18(11)13(19)6-2-4-10-8-12(15)20-14(10)16;/h8,11,17H,2-7,9H2,1H3;1H
InChIKeyLZBPEVAXRIYBNU-UHFFFAOYSA-N
MW371.76 g/mol
LogP4.01
Rot. Bonds6

About 4-(2,5-dichlorothiophen-3-yl)-1-[2-(methylaminomethyl)pyrrolidin-1-yl]butan-1-one;hydrochloride

4-(2,5-dichlorothiophen-3-yl)-1-[2-(methylaminomethyl)pyrrolidin-1-yl]butan-1-one;hydrochloride (PubChem CID 119651775) has the molecular formula C14H21Cl3N2OS and a molecular weight of 371.76 g/mol. Its IUPAC name is 4-(2,5-dichlorothiophen-3-yl)-1-[2-(methylaminomethyl)pyrrolidin-1-yl]butan-1-one;hydrochloride.

Molecular Properties

Compound Name4-(2,5-dichlorothiophen-3-yl)-1-[2-(methylaminomethyl)pyrrolidin-1-yl]butan-1-one;hydrochloride
PubChem CID119651775
Molecular FormulaC14H21Cl3N2OS
Molecular Weight371.76 g/mol
Exact Mass370.04
IUPAC Name4-(2,5-dichlorothiophen-3-yl)-1-[2-(methylaminomethyl)pyrrolidin-1-yl]butan-1-one;hydrochloride
SMILESCNCC1CCCN1C(=O)CCCc1cc(Cl)sc1Cl.Cl
InChIInChI=1S/C14H20Cl2N2OS.ClH/c1-17-9-11-5-3-7-18(11)13(19)6-2-4-10-8-12(15)20-14(10)16;/h8,11,17H,2-7,9H2,1H3;1H
InChIKeyLZBPEVAXRIYBNU-UHFFFAOYSA-N
XLogP4.01
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.76
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(2,5-dichlorothiophen-3-yl)-1-[2-(methylaminomethyl)pyrrolidin-1-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-(methylaminomethyl)pyrrolidin-1-yl]-4-(5-methylthiophen-2-yl)butan-1-one;hydrochloride
CID 119651768
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-4-phenylbutan-1-one
CID 81483955
3-(4-chlorophenyl)-1-[2-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 119649112
2-(2,4-dichlorophenyl)-1-[2-(methylaminomethyl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 119648543
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-[2-(methylaminomethyl)pyrrolidin-1-yl]butan-1-one
CID 119649279
2-[(2,4-dichlorophenyl)methylsulfanyl]-1-[2-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 119649806
4-cyclopentyl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]butan-1-one
CID 119652276
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-bromophenyl)-1-[2-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 119651279
1-[2-(methylaminomethyl)pyrrolidin-1-yl]hex-5-en-1-one
CID 119651767
1-[(3S)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-4-(2,5-dichlorothiophen-3-yl)butan-1-one
CID 124592375

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dichlorothiophen-3-yl)-1-[2-(methylaminomethyl)pyrrolidin-1-yl]butan-1-one;hydrochloride?
The IUPAC name of 4-(2,5-dichlorothiophen-3-yl)-1-[2-(methylaminomethyl)pyrrolidin-1-yl]butan-1-one;hydrochloride (CID 119651775) is 4-(2,5-dichlorothiophen-3-yl)-1-[2-(methylaminomethyl)pyrrolidin-1-yl]butan-1-one;hydrochloride.
What is the SMILES notation for 4-(2,5-dichlorothiophen-3-yl)-1-[2-(methylaminomethyl)pyrrolidin-1-yl]butan-1-one;hydrochloride?
The canonical SMILES for 4-(2,5-dichlorothiophen-3-yl)-1-[2-(methylaminomethyl)pyrrolidin-1-yl]butan-1-one;hydrochloride is CNCC1CCCN1C(=O)CCCc1cc(Cl)sc1Cl.Cl.
What is the InChIKey of 4-(2,5-dichlorothiophen-3-yl)-1-[2-(methylaminomethyl)pyrrolidin-1-yl]butan-1-one;hydrochloride?
The InChIKey is LZBPEVAXRIYBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2OS.ClH/c1-17-9-11-5-3-7-18(11)13(19)6-2-4-10-8-12(15)20-14(10)16;/h8,11,17H,2-7,9H2,1H3;1H.
What are the key properties of 4-(2,5-dichlorothiophen-3-yl)-1-[2-(methylaminomethyl)pyrrolidin-1-yl]butan-1-one;hydrochloride?
4-(2,5-dichlorothiophen-3-yl)-1-[2-(methylaminomethyl)pyrrolidin-1-yl]butan-1-one;hydrochloride has a molecular weight of 371.76 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dichlorothiophen-3-yl)-1-[2-(methylaminomethyl)pyrrolidin-1-yl]butan-1-one;hydrochloride is sourced from PubChem (CID 119651775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).