N-[(1S,2S)-1-morpholin-4-ium-4-yl-1-thiophen-2-ylpropan-2-yl]cyclohexanecarboxamide

C18H29N2O2S+ — CID 7110557

IUPACN-[(1S,2S)-1-morpholin-4-ium-4-yl-1-thiophen-2-ylpropan-2-yl]cyclohexanecarboxamide
SMILESC[C@H](NC(=O)C1CCCCC1)[C@@H](c1cccs1)[NH+]1CCOCC1
InChIInChI=1S/C18H28N2O2S/c1-14(19-18(21)15-6-3-2-4-7-15)17(16-8-5-13-23-16)20-9-11-22-12-10-20/h5,8,13-15,17H,2-4,6-7,9-12H2,1H3,(H,19,21)/p+1/t14-,17-/m0/s1
InChIKeyODQFJWCLFJSXEX-YOEHRIQHSA-O
MW337.51 g/mol
LogP1.79
Rot. Bonds5

About N-[(1S,2S)-1-morpholin-4-ium-4-yl-1-thiophen-2-ylpropan-2-yl]cyclohexanecarboxamide

N-[(1S,2S)-1-morpholin-4-ium-4-yl-1-thiophen-2-ylpropan-2-yl]cyclohexanecarboxamide (PubChem CID 7110557) has the molecular formula C18H29N2O2S+ and a molecular weight of 337.51 g/mol. Its IUPAC name is N-[(1S,2S)-1-morpholin-4-ium-4-yl-1-thiophen-2-ylpropan-2-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(1S,2S)-1-morpholin-4-ium-4-yl-1-thiophen-2-ylpropan-2-yl]cyclohexanecarboxamide
PubChem CID7110557
Molecular FormulaC18H29N2O2S+
Molecular Weight337.51 g/mol
Exact Mass337.19
IUPAC NameN-[(1S,2S)-1-morpholin-4-ium-4-yl-1-thiophen-2-ylpropan-2-yl]cyclohexanecarboxamide
SMILESC[C@H](NC(=O)C1CCCCC1)[C@@H](c1cccs1)[NH+]1CCOCC1
InChIInChI=1S/C18H28N2O2S/c1-14(19-18(21)15-6-3-2-4-7-15)17(16-8-5-13-23-16)20-9-11-22-12-10-20/h5,8,13-15,17H,2-4,6-7,9-12H2,1H3,(H,19,21)/p+1/t14-,17-/m0/s1
InChIKeyODQFJWCLFJSXEX-YOEHRIQHSA-O
XLogP1.79
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.51
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R,2S)-1-(4-phenylpiperazin-1-ium-1-yl)-1-thiophen-2-ylpropan-2-yl]cyclopropanecarboxamide
CID 7086497
4-tert-butyl-N-[(1R,2R)-1-morpholin-4-ium-4-yl-1-thiophen-2-ylpropan-2-yl]benzamide
CID 7110604
1-cyclohexyl-3-[(1S,2S)-1-pyrrolidin-1-ium-1-yl-1-thiophen-2-ylpropan-2-yl]urea
CID 2330900
1-cyclohexyl-3-[(1R,2R)-1-pyrrolidin-1-ium-1-yl-1-thiophen-2-ylpropan-2-yl]urea
CID 2330906
1-(4-chlorophenyl)-3-[(1S,2R)-1-morpholin-4-ium-4-yl-1-thiophen-2-ylpropan-2-yl]urea
CID 7111012
N-[(1S)-1-thiophen-2-ylethyl]oxane-4-carboxamide
CID 30971824
N-[(1S,2S)-1-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-1-thiophen-2-ylpropan-2-yl]cyclopropanecarboxamide
CID 7086518
N-[(1S,2R)-1-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-1-thiophen-2-ylpropan-2-yl]cyclopropanecarboxamide
CID 7086681
1-(2,5-dimethylphenyl)-3-[(1S,2S)-1-morpholin-4-ium-4-yl-1-thiophen-2-ylpropan-2-yl]thiourea
CID 7086728
4-methyl-N-[(1S,2R)-1-morpholin-4-ium-4-yl-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide
CID 7110851
2-cyclopentyl-N-[(1R,2R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]acetamide
CID 2510636
N-[(2R)-1-thiophen-2-ylpropan-2-yl]cyclobutanecarboxamide
CID 51897806

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-1-morpholin-4-ium-4-yl-1-thiophen-2-ylpropan-2-yl]cyclohexanecarboxamide?
The IUPAC name of N-[(1S,2S)-1-morpholin-4-ium-4-yl-1-thiophen-2-ylpropan-2-yl]cyclohexanecarboxamide (CID 7110557) is N-[(1S,2S)-1-morpholin-4-ium-4-yl-1-thiophen-2-ylpropan-2-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(1S,2S)-1-morpholin-4-ium-4-yl-1-thiophen-2-ylpropan-2-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[(1S,2S)-1-morpholin-4-ium-4-yl-1-thiophen-2-ylpropan-2-yl]cyclohexanecarboxamide is C[C@H](NC(=O)C1CCCCC1)[C@@H](c1cccs1)[NH+]1CCOCC1.
What is the InChIKey of N-[(1S,2S)-1-morpholin-4-ium-4-yl-1-thiophen-2-ylpropan-2-yl]cyclohexanecarboxamide?
The InChIKey is ODQFJWCLFJSXEX-YOEHRIQHSA-O. The full InChI is InChI=1S/C18H28N2O2S/c1-14(19-18(21)15-6-3-2-4-7-15)17(16-8-5-13-23-16)20-9-11-22-12-10-20/h5,8,13-15,17H,2-4,6-7,9-12H2,1H3,(H,19,21)/p+1/t14-,17-/m0/s1.
What are the key properties of N-[(1S,2S)-1-morpholin-4-ium-4-yl-1-thiophen-2-ylpropan-2-yl]cyclohexanecarboxamide?
N-[(1S,2S)-1-morpholin-4-ium-4-yl-1-thiophen-2-ylpropan-2-yl]cyclohexanecarboxamide has a molecular weight of 337.51 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-1-morpholin-4-ium-4-yl-1-thiophen-2-ylpropan-2-yl]cyclohexanecarboxamide is sourced from PubChem (CID 7110557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).