N-(2-morpholin-4-ium-4-ylethyl)-4-thiophen-2-yloxane-4-carboxamide

C16H25N2O3S+ — CID 7243535

IUPACN-(2-morpholin-4-ium-4-ylethyl)-4-thiophen-2-yloxane-4-carboxamide
SMILESO=C(NCC[NH+]1CCOCC1)C1(c2cccs2)CCOCC1
InChIInChI=1S/C16H24N2O3S/c19-15(17-5-6-18-7-11-21-12-8-18)16(3-9-20-10-4-16)14-2-1-13-22-14/h1-2,13H,3-12H2,(H,17,19)/p+1
InChIKeyRGGCXBBEHPHHON-UHFFFAOYSA-O
MW325.45 g/mol
LogP-0.17
Rot. Bonds5

About N-(2-morpholin-4-ium-4-ylethyl)-4-thiophen-2-yloxane-4-carboxamide

N-(2-morpholin-4-ium-4-ylethyl)-4-thiophen-2-yloxane-4-carboxamide (PubChem CID 7243535) has the molecular formula C16H25N2O3S+ and a molecular weight of 325.45 g/mol. Its IUPAC name is N-(2-morpholin-4-ium-4-ylethyl)-4-thiophen-2-yloxane-4-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ium-4-ylethyl)-4-thiophen-2-yloxane-4-carboxamide
PubChem CID7243535
Molecular FormulaC16H25N2O3S+
Molecular Weight325.45 g/mol
Exact Mass325.16
IUPAC NameN-(2-morpholin-4-ium-4-ylethyl)-4-thiophen-2-yloxane-4-carboxamide
SMILESO=C(NCC[NH+]1CCOCC1)C1(c2cccs2)CCOCC1
InChIInChI=1S/C16H24N2O3S/c19-15(17-5-6-18-7-11-21-12-8-18)16(3-9-20-10-4-16)14-2-1-13-22-14/h1-2,13H,3-12H2,(H,17,19)/p+1
InChIKeyRGGCXBBEHPHHON-UHFFFAOYSA-O
XLogP-0.17
TPSA52.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-morpholin-4-ium-4-ylethyl)thiophene-2-carboxamide
CID 6949050
N-(2-morpholin-4-ium-4-ylethyl)-1-phenylcyclopentane-1-carboxamide
CID 6987548
N-[2-(1H-indol-3-yl)ethyl]-4-thiophen-2-yloxane-4-carboxamide
CID 7217402
N-(2-fluorophenyl)-4-thiophen-2-yloxane-4-carboxamide
CID 7243546
N-benzhydryl-4-thiophen-2-yloxane-4-carboxamide
CID 7243574
N-[3-(dimethylamino)propyl]-1-thiophen-2-ylcyclopropane-1-carboxamide
CID 110698443
N-[(4-phenylsulfanyloxan-4-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 90523284
(E)-2-cyano-N-(2-morpholin-4-ium-4-ylethyl)-3-thiophen-2-ylprop-2-enamide
CID 2135288
N-[3-(furan-2-yl)-3-hydroxypropyl]-1-thiophen-2-ylcyclopropane-1-carboxamide
CID 90523795
N-(4-methyl-1,3-thiazol-2-yl)-4-thiophen-2-yloxane-4-carboxamide
CID 7243534
N-(6-methyl-2-pyridinyl)-4-thiophen-2-yloxane-4-carboxamide
CID 12005993
6-[(1-thiophen-2-ylcyclohexanecarbonyl)amino]hexanoic acid
CID 119220064

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ium-4-ylethyl)-4-thiophen-2-yloxane-4-carboxamide?
The IUPAC name of N-(2-morpholin-4-ium-4-ylethyl)-4-thiophen-2-yloxane-4-carboxamide (CID 7243535) is N-(2-morpholin-4-ium-4-ylethyl)-4-thiophen-2-yloxane-4-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-ium-4-ylethyl)-4-thiophen-2-yloxane-4-carboxamide?
The canonical SMILES for N-(2-morpholin-4-ium-4-ylethyl)-4-thiophen-2-yloxane-4-carboxamide is O=C(NCC[NH+]1CCOCC1)C1(c2cccs2)CCOCC1.
What is the InChIKey of N-(2-morpholin-4-ium-4-ylethyl)-4-thiophen-2-yloxane-4-carboxamide?
The InChIKey is RGGCXBBEHPHHON-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H24N2O3S/c19-15(17-5-6-18-7-11-21-12-8-18)16(3-9-20-10-4-16)14-2-1-13-22-14/h1-2,13H,3-12H2,(H,17,19)/p+1.
What are the key properties of N-(2-morpholin-4-ium-4-ylethyl)-4-thiophen-2-yloxane-4-carboxamide?
N-(2-morpholin-4-ium-4-ylethyl)-4-thiophen-2-yloxane-4-carboxamide has a molecular weight of 325.45 g/mol, XLogP of -0.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ium-4-ylethyl)-4-thiophen-2-yloxane-4-carboxamide is sourced from PubChem (CID 7243535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).