N-[1-(5-methylthiophen-2-yl)propan-2-yl]morpholine-3-carboxamide;hydrochloride

C13H21ClN2O2S — CID 119796716

IUPACN-[1-(5-methylthiophen-2-yl)propan-2-yl]morpholine-3-carboxamide;hydrochloride
SMILESCc1ccc(CC(C)NC(=O)C2COCCN2)s1.Cl
InChIInChI=1S/C13H20N2O2S.ClH/c1-9(7-11-4-3-10(2)18-11)15-13(16)12-8-17-6-5-14-12;/h3-4,9,12,14H,5-8H2,1-2H3,(H,15,16);1H
InChIKeyCPSDSATVPYRQKF-UHFFFAOYSA-N
MW304.84 g/mol
LogP1.51
Rot. Bonds4

About N-[1-(5-methylthiophen-2-yl)propan-2-yl]morpholine-3-carboxamide;hydrochloride

N-[1-(5-methylthiophen-2-yl)propan-2-yl]morpholine-3-carboxamide;hydrochloride (PubChem CID 119796716) has the molecular formula C13H21ClN2O2S and a molecular weight of 304.84 g/mol. Its IUPAC name is N-[1-(5-methylthiophen-2-yl)propan-2-yl]morpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(5-methylthiophen-2-yl)propan-2-yl]morpholine-3-carboxamide;hydrochloride
PubChem CID119796716
Molecular FormulaC13H21ClN2O2S
Molecular Weight304.84 g/mol
Exact Mass304.10
IUPAC NameN-[1-(5-methylthiophen-2-yl)propan-2-yl]morpholine-3-carboxamide;hydrochloride
SMILESCc1ccc(CC(C)NC(=O)C2COCCN2)s1.Cl
InChIInChI=1S/C13H20N2O2S.ClH/c1-9(7-11-4-3-10(2)18-11)15-13(16)12-8-17-6-5-14-12;/h3-4,9,12,14H,5-8H2,1-2H3,(H,15,16);1H
InChIKeyCPSDSATVPYRQKF-UHFFFAOYSA-N
XLogP1.51
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.84
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]piperidine-2-carboxamide
CID 114429111
N-[(2R)-1-aminopropan-2-yl]morpholine-3-carboxamide;hydrochloride
CID 130674305
N-[1-(5-methylthiophen-2-yl)propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 119330940
N-[(2R)-1-hydroxypropan-2-yl]morpholine-3-carboxamide
CID 107218691
N-(4-hydroxybutan-2-yl)morpholine-3-carboxamide
CID 83177558
N-[1-(5-methylthiophen-2-yl)propan-2-yl]-2,3-dihydro-1H-indole-2-carboxamide
CID 77044947
N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]morpholine-3-carboxamide;hydrochloride
CID 119689444
N-[1-(diethylamino)propan-2-yl]morpholine-3-carboxamide;dihydrochloride
CID 119860535
N-[1-(2-methylphenyl)ethyl]morpholine-3-carboxamide;hydrochloride
CID 119686030
(3S)-3-methyl-N-[(2S)-1-(5-methylthiophen-2-yl)propan-2-yl]morpholine-4-carboxamide
CID 95774049
3-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]morpholine-4-carboxamide
CID 86768543
N-[1-(4-tert-butylphenoxy)propan-2-yl]morpholine-3-carboxamide;hydrochloride
CID 119744122

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methylthiophen-2-yl)propan-2-yl]morpholine-3-carboxamide;hydrochloride?
The IUPAC name of N-[1-(5-methylthiophen-2-yl)propan-2-yl]morpholine-3-carboxamide;hydrochloride (CID 119796716) is N-[1-(5-methylthiophen-2-yl)propan-2-yl]morpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-(5-methylthiophen-2-yl)propan-2-yl]morpholine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[1-(5-methylthiophen-2-yl)propan-2-yl]morpholine-3-carboxamide;hydrochloride is Cc1ccc(CC(C)NC(=O)C2COCCN2)s1.Cl.
What is the InChIKey of N-[1-(5-methylthiophen-2-yl)propan-2-yl]morpholine-3-carboxamide;hydrochloride?
The InChIKey is CPSDSATVPYRQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S.ClH/c1-9(7-11-4-3-10(2)18-11)15-13(16)12-8-17-6-5-14-12;/h3-4,9,12,14H,5-8H2,1-2H3,(H,15,16);1H.
What are the key properties of N-[1-(5-methylthiophen-2-yl)propan-2-yl]morpholine-3-carboxamide;hydrochloride?
N-[1-(5-methylthiophen-2-yl)propan-2-yl]morpholine-3-carboxamide;hydrochloride has a molecular weight of 304.84 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methylthiophen-2-yl)propan-2-yl]morpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119796716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).