N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]thiophene-2-sulfonamide

C16H21N2O3S2+ — CID 8844908

IUPACN-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]thiophene-2-sulfonamide
SMILESO=S(=O)(N[C@H](C[NH+]1CCOCC1)c1ccccc1)c1cccs1
InChIInChI=1S/C16H20N2O3S2/c19-23(20,16-7-4-12-22-16)17-15(14-5-2-1-3-6-14)13-18-8-10-21-11-9-18/h1-7,12,15,17H,8-11,13H2/p+1/t15-/m1/s1
InChIKeyOWFLYQQVCBPSJP-OAHLLOKOSA-O
MW353.49 g/mol
LogP0.68
Rot. Bonds6

About N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]thiophene-2-sulfonamide

N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]thiophene-2-sulfonamide (PubChem CID 8844908) has the molecular formula C16H21N2O3S2+ and a molecular weight of 353.49 g/mol. Its IUPAC name is N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]thiophene-2-sulfonamide
PubChem CID8844908
Molecular FormulaC16H21N2O3S2+
Molecular Weight353.49 g/mol
Exact Mass353.10
IUPAC NameN-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]thiophene-2-sulfonamide
SMILESO=S(=O)(N[C@H](C[NH+]1CCOCC1)c1ccccc1)c1cccs1
InChIInChI=1S/C16H20N2O3S2/c19-23(20,16-7-4-12-22-16)17-15(14-5-2-1-3-6-14)13-18-8-10-21-11-9-18/h1-7,12,15,17H,8-11,13H2/p+1/t15-/m1/s1
InChIKeyOWFLYQQVCBPSJP-OAHLLOKOSA-O
XLogP0.68
TPSA59.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]benzenesulfonamide
CID 8844896
4-tert-butyl-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]benzenesulfonamide
CID 8845032
3,4-dimethyl-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]benzenesulfonamide
CID 8844996
2-methoxy-5-methyl-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]benzenesulfonamide
CID 8845179
(E)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]-2-phenylethenesulfonamide
CID 8845008
(2R)-1-morpholin-4-ium-4-yl-3-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propan-2-ol
CID 9449991
N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 9148319
N-[1-phenyl-2-(triazol-2-yl)ethyl]thiophene-2-sulfonamide
CID 119101653
N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 8845219
N-[(S)-phenyl(thiophen-2-yl)methyl]thiophene-2-sulfonamide
CID 8815899
N-[(R)-phenyl(thiophen-2-yl)methyl]thiophene-2-sulfonamide
CID 8815903
4-fluoro-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]benzenesulfonamide
CID 8844443

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]thiophene-2-sulfonamide?
The IUPAC name of N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]thiophene-2-sulfonamide (CID 8844908) is N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]thiophene-2-sulfonamide is O=S(=O)(N[C@H](C[NH+]1CCOCC1)c1ccccc1)c1cccs1.
What is the InChIKey of N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]thiophene-2-sulfonamide?
The InChIKey is OWFLYQQVCBPSJP-OAHLLOKOSA-O. The full InChI is InChI=1S/C16H20N2O3S2/c19-23(20,16-7-4-12-22-16)17-15(14-5-2-1-3-6-14)13-18-8-10-21-11-9-18/h1-7,12,15,17H,8-11,13H2/p+1/t15-/m1/s1.
What are the key properties of N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]thiophene-2-sulfonamide?
N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]thiophene-2-sulfonamide has a molecular weight of 353.49 g/mol, XLogP of 0.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 8844908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).