5-morpholin-4-ylsulfonyl-N-[(1S)-1-thiophen-2-ylethyl]pyridin-1-ium-2-amine

C15H20N3O3S2+ — CID 9109319

IUPAC5-morpholin-4-ylsulfonyl-N-[(1S)-1-thiophen-2-ylethyl]pyridin-1-ium-2-amine
SMILESC[C@H](Nc1ccc(S(=O)(=O)N2CCOCC2)c[nH+]1)c1cccs1
InChIInChI=1S/C15H19N3O3S2/c1-12(14-3-2-10-22-14)17-15-5-4-13(11-16-15)23(19,20)18-6-8-21-9-7-18/h2-5,10-12H,6-9H2,1H3,(H,16,17)/p+1/t12-/m0/s1
InChIKeyLTXXTPGDNLETJQ-LBPRGKRZSA-O
MW354.48 g/mol
LogP1.76
Rot. Bonds5

About 5-morpholin-4-ylsulfonyl-N-[(1S)-1-thiophen-2-ylethyl]pyridin-1-ium-2-amine

5-morpholin-4-ylsulfonyl-N-[(1S)-1-thiophen-2-ylethyl]pyridin-1-ium-2-amine (PubChem CID 9109319) has the molecular formula C15H20N3O3S2+ and a molecular weight of 354.48 g/mol. Its IUPAC name is 5-morpholin-4-ylsulfonyl-N-[(1S)-1-thiophen-2-ylethyl]pyridin-1-ium-2-amine.

Molecular Properties

Compound Name5-morpholin-4-ylsulfonyl-N-[(1S)-1-thiophen-2-ylethyl]pyridin-1-ium-2-amine
PubChem CID9109319
Molecular FormulaC15H20N3O3S2+
Molecular Weight354.48 g/mol
Exact Mass354.09
IUPAC Name5-morpholin-4-ylsulfonyl-N-[(1S)-1-thiophen-2-ylethyl]pyridin-1-ium-2-amine
SMILESC[C@H](Nc1ccc(S(=O)(=O)N2CCOCC2)c[nH+]1)c1cccs1
InChIInChI=1S/C15H19N3O3S2/c1-12(14-3-2-10-22-14)17-15-5-4-13(11-16-15)23(19,20)18-6-8-21-9-7-18/h2-5,10-12H,6-9H2,1H3,(H,16,17)/p+1/t12-/m0/s1
InChIKeyLTXXTPGDNLETJQ-LBPRGKRZSA-O
XLogP1.76
TPSA72.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-(1-adamantyl)ethyl]-5-morpholin-4-ylsulfonylpyridin-1-ium-2-amine
CID 9283334
N-(1-thiophen-2-ylethyl)morpholine-4-sulfonamide
CID 47141625
N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]-4-morpholin-4-ylsulfonylbenzamide
CID 9051733
N-[(1R,2R)-2-methylcyclohexyl]-5-morpholin-4-ylsulfonylpyridin-1-ium-2-amine
CID 9311722
N-[2-(4-methylphenyl)sulfanylethyl]-5-morpholin-4-ylsulfonylpyridin-1-ium-2-amine
CID 8565448
N-(3-morpholin-4-ium-4-ylpropyl)-5-morpholin-4-ylsulfonylpyridin-1-ium-2-amine
CID 9280285
5-morpholin-4-ylsulfonyl-N-(1-propylpiperidin-1-ium-4-yl)pyridin-1-ium-2-amine
CID 8567123
benzyl-methyl-[3-[(5-morpholin-4-ylsulfonylpyridin-1-ium-2-yl)amino]propyl]azanium
CID 9024165
[(1S)-1-(4-ethylphenyl)-2-[(5-morpholin-4-ylsulfonylpyridin-1-ium-2-yl)amino]ethyl]-dimethylazanium
CID 9107856
N-[(1R,2S)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]-4-nitrobenzenesulfonamide
CID 7110868
N-[(1R,2S)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide
CID 7110846
N-[(1S,2S)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide
CID 7110842

Frequently Asked Questions

What is the IUPAC name of 5-morpholin-4-ylsulfonyl-N-[(1S)-1-thiophen-2-ylethyl]pyridin-1-ium-2-amine?
The IUPAC name of 5-morpholin-4-ylsulfonyl-N-[(1S)-1-thiophen-2-ylethyl]pyridin-1-ium-2-amine (CID 9109319) is 5-morpholin-4-ylsulfonyl-N-[(1S)-1-thiophen-2-ylethyl]pyridin-1-ium-2-amine.
What is the SMILES notation for 5-morpholin-4-ylsulfonyl-N-[(1S)-1-thiophen-2-ylethyl]pyridin-1-ium-2-amine?
The canonical SMILES for 5-morpholin-4-ylsulfonyl-N-[(1S)-1-thiophen-2-ylethyl]pyridin-1-ium-2-amine is C[C@H](Nc1ccc(S(=O)(=O)N2CCOCC2)c[nH+]1)c1cccs1.
What is the InChIKey of 5-morpholin-4-ylsulfonyl-N-[(1S)-1-thiophen-2-ylethyl]pyridin-1-ium-2-amine?
The InChIKey is LTXXTPGDNLETJQ-LBPRGKRZSA-O. The full InChI is InChI=1S/C15H19N3O3S2/c1-12(14-3-2-10-22-14)17-15-5-4-13(11-16-15)23(19,20)18-6-8-21-9-7-18/h2-5,10-12H,6-9H2,1H3,(H,16,17)/p+1/t12-/m0/s1.
What are the key properties of 5-morpholin-4-ylsulfonyl-N-[(1S)-1-thiophen-2-ylethyl]pyridin-1-ium-2-amine?
5-morpholin-4-ylsulfonyl-N-[(1S)-1-thiophen-2-ylethyl]pyridin-1-ium-2-amine has a molecular weight of 354.48 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-morpholin-4-ylsulfonyl-N-[(1S)-1-thiophen-2-ylethyl]pyridin-1-ium-2-amine is sourced from PubChem (CID 9109319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).