N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)propanamide;hydrochloride

C13H21ClN2O2S — CID 6603216

IUPACN-(2-morpholin-4-yl-2-thiophen-2-ylethyl)propanamide;hydrochloride
SMILESCCC(=O)NCC(c1cccs1)N1CCOCC1.Cl
InChIInChI=1S/C13H20N2O2S.ClH/c1-2-13(16)14-10-11(12-4-3-9-18-12)15-5-7-17-8-6-15;/h3-4,9,11H,2,5-8,10H2,1H3,(H,14,16);1H
InChIKeyNRQDRIPVECMPRU-UHFFFAOYSA-N
MW304.84 g/mol
LogP2.07
Rot. Bonds5

About N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)propanamide;hydrochloride

N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)propanamide;hydrochloride (PubChem CID 6603216) has the molecular formula C13H21ClN2O2S and a molecular weight of 304.84 g/mol. Its IUPAC name is N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-morpholin-4-yl-2-thiophen-2-ylethyl)propanamide;hydrochloride
PubChem CID6603216
Molecular FormulaC13H21ClN2O2S
Molecular Weight304.84 g/mol
Exact Mass304.10
IUPAC NameN-(2-morpholin-4-yl-2-thiophen-2-ylethyl)propanamide;hydrochloride
SMILESCCC(=O)NCC(c1cccs1)N1CCOCC1.Cl
InChIInChI=1S/C13H20N2O2S.ClH/c1-2-13(16)14-10-11(12-4-3-9-18-12)15-5-7-17-8-6-15;/h3-4,9,11H,2,5-8,10H2,1H3,(H,14,16);1H
InChIKeyNRQDRIPVECMPRU-UHFFFAOYSA-N
XLogP2.07
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.84
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)propanamide;hydrochloride?
The IUPAC name of N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)propanamide;hydrochloride (CID 6603216) is N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)propanamide;hydrochloride.
What is the SMILES notation for N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)propanamide;hydrochloride?
The canonical SMILES for N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)propanamide;hydrochloride is CCC(=O)NCC(c1cccs1)N1CCOCC1.Cl.
What is the InChIKey of N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)propanamide;hydrochloride?
The InChIKey is NRQDRIPVECMPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S.ClH/c1-2-13(16)14-10-11(12-4-3-9-18-12)15-5-7-17-8-6-15;/h3-4,9,11H,2,5-8,10H2,1H3,(H,14,16);1H.
What are the key properties of N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)propanamide;hydrochloride?
N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)propanamide;hydrochloride has a molecular weight of 304.84 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)propanamide;hydrochloride is sourced from PubChem (CID 6603216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).