N-[2-(5-chlorothiophen-2-yl)ethyl]morpholine-3-carboxamide;hydrochloride

C11H16Cl2N2O2S — CID 119735842

IUPACN-[2-(5-chlorothiophen-2-yl)ethyl]morpholine-3-carboxamide;hydrochloride
SMILESCl.O=C(NCCc1ccc(Cl)s1)C1COCCN1
InChIInChI=1S/C11H15ClN2O2S.ClH/c12-10-2-1-8(17-10)3-4-14-11(15)9-7-16-6-5-13-9;/h1-2,9,13H,3-7H2,(H,14,15);1H
InChIKeyFOVNBHVLINLVDS-UHFFFAOYSA-N
MW311.23 g/mol
LogP1.47
Rot. Bonds4

About N-[2-(5-chlorothiophen-2-yl)ethyl]morpholine-3-carboxamide;hydrochloride

N-[2-(5-chlorothiophen-2-yl)ethyl]morpholine-3-carboxamide;hydrochloride (PubChem CID 119735842) has the molecular formula C11H16Cl2N2O2S and a molecular weight of 311.23 g/mol. Its IUPAC name is N-[2-(5-chlorothiophen-2-yl)ethyl]morpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(5-chlorothiophen-2-yl)ethyl]morpholine-3-carboxamide;hydrochloride
PubChem CID119735842
Molecular FormulaC11H16Cl2N2O2S
Molecular Weight311.23 g/mol
Exact Mass310.03
IUPAC NameN-[2-(5-chlorothiophen-2-yl)ethyl]morpholine-3-carboxamide;hydrochloride
SMILESCl.O=C(NCCc1ccc(Cl)s1)C1COCCN1
InChIInChI=1S/C11H15ClN2O2S.ClH/c12-10-2-1-8(17-10)3-4-14-11(15)9-7-16-6-5-13-9;/h1-2,9,13H,3-7H2,(H,14,15);1H
InChIKeyFOVNBHVLINLVDS-UHFFFAOYSA-N
XLogP1.47
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.23
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(5-chlorothiophen-2-yl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119296186
N-[2-(3,5-dichlorophenyl)ethyl]morpholine-3-carboxamide
CID 119752644
N-[2-(4-ethylphenyl)ethyl]morpholine-3-carboxamide
CID 115177646
N-(2-pyridin-2-ylethyl)morpholine-3-carboxamide;dihydrochloride
CID 119827893
(3R)-N-(2-aminoethyl)morpholine-3-carboxamide;hydrochloride
CID 130616444
methyl 4-[2-(morpholine-3-carbonylamino)ethyl]benzoate
CID 119701381
N-[2-[4-(trifluoromethoxy)phenyl]ethyl]morpholine-3-carboxamide;hydrochloride
CID 119721497
N-[2-(1,2,4-oxadiazol-5-yl)ethyl]morpholine-3-carboxamide
CID 106397412
N-[2-(5-chlorothiophen-2-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 104931777
N-[2-(4-fluoro-2-methylphenyl)ethyl]morpholine-3-carboxamide;hydrochloride
CID 119814166
(3S)-N-[2-(5-chlorothiophen-2-yl)ethyl]piperidine-3-carboxamide
CID 106047918
N-[2-(5-bromo-2-methylphenyl)ethyl]morpholine-3-carboxamide
CID 115177656

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]morpholine-3-carboxamide;hydrochloride?
The IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]morpholine-3-carboxamide;hydrochloride (CID 119735842) is N-[2-(5-chlorothiophen-2-yl)ethyl]morpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(5-chlorothiophen-2-yl)ethyl]morpholine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(5-chlorothiophen-2-yl)ethyl]morpholine-3-carboxamide;hydrochloride is Cl.O=C(NCCc1ccc(Cl)s1)C1COCCN1.
What is the InChIKey of N-[2-(5-chlorothiophen-2-yl)ethyl]morpholine-3-carboxamide;hydrochloride?
The InChIKey is FOVNBHVLINLVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2S.ClH/c12-10-2-1-8(17-10)3-4-14-11(15)9-7-16-6-5-13-9;/h1-2,9,13H,3-7H2,(H,14,15);1H.
What are the key properties of N-[2-(5-chlorothiophen-2-yl)ethyl]morpholine-3-carboxamide;hydrochloride?
N-[2-(5-chlorothiophen-2-yl)ethyl]morpholine-3-carboxamide;hydrochloride has a molecular weight of 311.23 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chlorothiophen-2-yl)ethyl]morpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119735842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).