2-[propyl(pyrrolidin-3-yl)amino]-N-(thiophen-2-ylmethyl)acetamide;hydrochloride

C14H24ClN3OS — CID 119921790

IUPAC2-[propyl(pyrrolidin-3-yl)amino]-N-(thiophen-2-ylmethyl)acetamide;hydrochloride
SMILESCCCN(CC(=O)NCc1cccs1)C1CCNC1.Cl
InChIInChI=1S/C14H23N3OS.ClH/c1-2-7-17(12-5-6-15-9-12)11-14(18)16-10-13-4-3-8-19-13;/h3-4,8,12,15H,2,5-7,9-11H2,1H3,(H,16,18);1H
InChIKeyJXMXMTILZXPAHL-UHFFFAOYSA-N
MW317.89 g/mol
LogP1.86
Rot. Bonds7

About 2-[propyl(pyrrolidin-3-yl)amino]-N-(thiophen-2-ylmethyl)acetamide;hydrochloride

2-[propyl(pyrrolidin-3-yl)amino]-N-(thiophen-2-ylmethyl)acetamide;hydrochloride (PubChem CID 119921790) has the molecular formula C14H24ClN3OS and a molecular weight of 317.89 g/mol. Its IUPAC name is 2-[propyl(pyrrolidin-3-yl)amino]-N-(thiophen-2-ylmethyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[propyl(pyrrolidin-3-yl)amino]-N-(thiophen-2-ylmethyl)acetamide;hydrochloride
PubChem CID119921790
Molecular FormulaC14H24ClN3OS
Molecular Weight317.89 g/mol
Exact Mass317.13
IUPAC Name2-[propyl(pyrrolidin-3-yl)amino]-N-(thiophen-2-ylmethyl)acetamide;hydrochloride
SMILESCCCN(CC(=O)NCc1cccs1)C1CCNC1.Cl
InChIInChI=1S/C14H23N3OS.ClH/c1-2-7-17(12-5-6-15-9-12)11-14(18)16-10-13-4-3-8-19-13;/h3-4,8,12,15H,2,5-7,9-11H2,1H3,(H,16,18);1H
InChIKeyJXMXMTILZXPAHL-UHFFFAOYSA-N
XLogP1.86
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.89
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[piperidin-4-yl(propyl)amino]-N-(thiophen-2-ylmethyl)acetamide;hydrochloride
CID 119933163
2-[propyl(pyrrolidin-3-yl)amino]-N-(1-thiophen-2-ylethyl)acetamide
CID 63304562
N-[(4-fluorophenyl)methyl]-2-[propyl(pyrrolidin-3-yl)amino]acetamide
CID 63304113
N-(cyclopropylmethyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119921724
N-(2-methylpropyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119921772
N-(2-phenoxyethyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide
CID 119921645
N-(3-methyl-1,2-oxazol-5-yl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119921752
2-[cyclohexyl(2-hydroxyethyl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 60693909
N-(4-fluorophenyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119921606
N-(ethylcarbamoyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119921450
N-propan-2-yl-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119921653
N-(2-cyanoethyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide
CID 63301073

Frequently Asked Questions

What is the IUPAC name of 2-[propyl(pyrrolidin-3-yl)amino]-N-(thiophen-2-ylmethyl)acetamide;hydrochloride?
The IUPAC name of 2-[propyl(pyrrolidin-3-yl)amino]-N-(thiophen-2-ylmethyl)acetamide;hydrochloride (CID 119921790) is 2-[propyl(pyrrolidin-3-yl)amino]-N-(thiophen-2-ylmethyl)acetamide;hydrochloride.
What is the SMILES notation for 2-[propyl(pyrrolidin-3-yl)amino]-N-(thiophen-2-ylmethyl)acetamide;hydrochloride?
The canonical SMILES for 2-[propyl(pyrrolidin-3-yl)amino]-N-(thiophen-2-ylmethyl)acetamide;hydrochloride is CCCN(CC(=O)NCc1cccs1)C1CCNC1.Cl.
What is the InChIKey of 2-[propyl(pyrrolidin-3-yl)amino]-N-(thiophen-2-ylmethyl)acetamide;hydrochloride?
The InChIKey is JXMXMTILZXPAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS.ClH/c1-2-7-17(12-5-6-15-9-12)11-14(18)16-10-13-4-3-8-19-13;/h3-4,8,12,15H,2,5-7,9-11H2,1H3,(H,16,18);1H.
What are the key properties of 2-[propyl(pyrrolidin-3-yl)amino]-N-(thiophen-2-ylmethyl)acetamide;hydrochloride?
2-[propyl(pyrrolidin-3-yl)amino]-N-(thiophen-2-ylmethyl)acetamide;hydrochloride has a molecular weight of 317.89 g/mol, XLogP of 1.86, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propyl(pyrrolidin-3-yl)amino]-N-(thiophen-2-ylmethyl)acetamide;hydrochloride is sourced from PubChem (CID 119921790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).