4-(2,5-dimethylthiophen-3-yl)-N-(pyrrolidin-2-ylmethyl)butanamide;hydrochloride

C15H25ClN2OS — CID 119514853

IUPAC4-(2,5-dimethylthiophen-3-yl)-N-(pyrrolidin-2-ylmethyl)butanamide;hydrochloride
SMILESCc1cc(CCCC(=O)NCC2CCCN2)c(C)s1.Cl
InChIInChI=1S/C15H24N2OS.ClH/c1-11-9-13(12(2)19-11)5-3-7-15(18)17-10-14-6-4-8-16-14;/h9,14,16H,3-8,10H2,1-2H3,(H,17,18);1H
InChIKeyLBXPZYLVDLJZPJ-UHFFFAOYSA-N
MW316.90 g/mol
LogP2.98
Rot. Bonds6

About 4-(2,5-dimethylthiophen-3-yl)-N-(pyrrolidin-2-ylmethyl)butanamide;hydrochloride

4-(2,5-dimethylthiophen-3-yl)-N-(pyrrolidin-2-ylmethyl)butanamide;hydrochloride (PubChem CID 119514853) has the molecular formula C15H25ClN2OS and a molecular weight of 316.90 g/mol. Its IUPAC name is 4-(2,5-dimethylthiophen-3-yl)-N-(pyrrolidin-2-ylmethyl)butanamide;hydrochloride.

Molecular Properties

Compound Name4-(2,5-dimethylthiophen-3-yl)-N-(pyrrolidin-2-ylmethyl)butanamide;hydrochloride
PubChem CID119514853
Molecular FormulaC15H25ClN2OS
Molecular Weight316.90 g/mol
Exact Mass316.14
IUPAC Name4-(2,5-dimethylthiophen-3-yl)-N-(pyrrolidin-2-ylmethyl)butanamide;hydrochloride
SMILESCc1cc(CCCC(=O)NCC2CCCN2)c(C)s1.Cl
InChIInChI=1S/C15H24N2OS.ClH/c1-11-9-13(12(2)19-11)5-3-7-15(18)17-10-14-6-4-8-16-14;/h9,14,16H,3-8,10H2,1-2H3,(H,17,18);1H
InChIKeyLBXPZYLVDLJZPJ-UHFFFAOYSA-N
XLogP2.98
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.90
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(2,5-dimethylthiophen-3-yl)-N-(pyrrolidin-2-ylmethyl)butanamide;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

4-(2,5-dimethylthiophen-3-yl)-N-[(2-hydroxycyclopentyl)methyl]butanamide
CID 111970476
4-(2,5-dichlorothiophen-3-yl)-N-(pyrrolidin-2-ylmethyl)butanamide;hydrochloride
CID 119514202
4-(5-methylthiophen-2-yl)-N-(pyrrolidin-2-ylmethyl)butanamide
CID 119514194
4-(2,5-dimethylthiophen-3-yl)-N-(2-methylpiperidin-3-yl)butanamide
CID 120576336
N-[[(2R)-pyrrolidin-2-yl]methyl]pentanamide;hydrochloride
CID 175666343
4-phenyl-N-[[(2R)-pyrrolidin-2-yl]methyl]butanamide
CID 11382839
3-(2-methylphenyl)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
CID 119513702
4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-N-(pyrrolidin-2-ylmethyl)butanamide;hydrochloride
CID 119513434
4-(2,5-dimethylthiophen-3-yl)-N-(3-piperazin-1-ylpropyl)butanamide
CID 119394631
4-(2,5-dimethylthiophen-3-yl)-N-(3-hydroxy-4-methylpentyl)butanamide
CID 111970464
4-(dipropylamino)-N-(pyrrolidin-2-ylmethyl)butanamide
CID 119511522
3-(2,5-difluorophenyl)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
CID 119513358

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylthiophen-3-yl)-N-(pyrrolidin-2-ylmethyl)butanamide;hydrochloride?
The IUPAC name of 4-(2,5-dimethylthiophen-3-yl)-N-(pyrrolidin-2-ylmethyl)butanamide;hydrochloride (CID 119514853) is 4-(2,5-dimethylthiophen-3-yl)-N-(pyrrolidin-2-ylmethyl)butanamide;hydrochloride.
What is the SMILES notation for 4-(2,5-dimethylthiophen-3-yl)-N-(pyrrolidin-2-ylmethyl)butanamide;hydrochloride?
The canonical SMILES for 4-(2,5-dimethylthiophen-3-yl)-N-(pyrrolidin-2-ylmethyl)butanamide;hydrochloride is Cc1cc(CCCC(=O)NCC2CCCN2)c(C)s1.Cl.
What is the InChIKey of 4-(2,5-dimethylthiophen-3-yl)-N-(pyrrolidin-2-ylmethyl)butanamide;hydrochloride?
The InChIKey is LBXPZYLVDLJZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS.ClH/c1-11-9-13(12(2)19-11)5-3-7-15(18)17-10-14-6-4-8-16-14;/h9,14,16H,3-8,10H2,1-2H3,(H,17,18);1H.
What are the key properties of 4-(2,5-dimethylthiophen-3-yl)-N-(pyrrolidin-2-ylmethyl)butanamide;hydrochloride?
4-(2,5-dimethylthiophen-3-yl)-N-(pyrrolidin-2-ylmethyl)butanamide;hydrochloride has a molecular weight of 316.90 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylthiophen-3-yl)-N-(pyrrolidin-2-ylmethyl)butanamide;hydrochloride is sourced from PubChem (CID 119514853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).