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

C18H25N2O3S2+ — CID 7110851

IUPAC4-methyl-N-[(1S,2R)-1-morpholin-4-ium-4-yl-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@H](C)[C@@H](c2cccs2)[NH+]2CCOCC2)cc1
InChIInChI=1S/C18H24N2O3S2/c1-14-5-7-16(8-6-14)25(21,22)19-15(2)18(17-4-3-13-24-17)20-9-11-23-12-10-20/h3-8,13,15,18-19H,9-12H2,1-2H3/p+1/t15-,18+/m1/s1
InChIKeyOESLHSHWMJLNRQ-QAPCUYQASA-O
MW381.54 g/mol
LogP1.38
Rot. Bonds6

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

4-methyl-N-[(1S,2R)-1-morpholin-4-ium-4-yl-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide (PubChem CID 7110851) has the molecular formula C18H25N2O3S2+ and a molecular weight of 381.54 g/mol. Its IUPAC name is 4-methyl-N-[(1S,2R)-1-morpholin-4-ium-4-yl-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(1S,2R)-1-morpholin-4-ium-4-yl-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide
PubChem CID7110851
Molecular FormulaC18H25N2O3S2+
Molecular Weight381.54 g/mol
Exact Mass381.13
IUPAC Name4-methyl-N-[(1S,2R)-1-morpholin-4-ium-4-yl-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@H](C)[C@@H](c2cccs2)[NH+]2CCOCC2)cc1
InChIInChI=1S/C18H24N2O3S2/c1-14-5-7-16(8-6-14)25(21,22)19-15(2)18(17-4-3-13-24-17)20-9-11-23-12-10-20/h3-8,13,15,18-19H,9-12H2,1-2H3/p+1/t15-,18+/m1/s1
InChIKeyOESLHSHWMJLNRQ-QAPCUYQASA-O
XLogP1.38
TPSA59.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.54
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(dithiophen-2-ylmethyl)-4-methylbenzenesulfonamide
CID 12000205
4-tert-butyl-N-[(1R,2R)-1-morpholin-4-ium-4-yl-1-thiophen-2-ylpropan-2-yl]benzamide
CID 7110604
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
4-bromo-N-[(1S,2S)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide
CID 30889010
4-fluoro-N-[(1S,2R)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide
CID 7110860
1-(2,5-dimethylphenyl)-3-[(1S,2S)-1-morpholin-4-ium-4-yl-1-thiophen-2-ylpropan-2-yl]thiourea
CID 7086728
N-[(1S,2S)-1-morpholin-4-ium-4-yl-1-thiophen-2-ylpropan-2-yl]cyclohexanecarboxamide
CID 7110557
N-[(1R,2S)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]-4-nitrobenzenesulfonamide
CID 7110868
N-[(1S,2R)-1-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-1-thiophen-2-ylpropan-2-yl]methanesulfonamide
CID 7086696
1-(4-chlorophenyl)-3-[(1S,2R)-1-morpholin-4-ium-4-yl-1-thiophen-2-ylpropan-2-yl]urea
CID 7111012
N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]benzenesulfonamide
CID 38256287

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(1S,2R)-1-morpholin-4-ium-4-yl-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(1S,2R)-1-morpholin-4-ium-4-yl-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide (CID 7110851) is 4-methyl-N-[(1S,2R)-1-morpholin-4-ium-4-yl-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(1S,2R)-1-morpholin-4-ium-4-yl-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(1S,2R)-1-morpholin-4-ium-4-yl-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide is Cc1ccc(S(=O)(=O)N[C@H](C)[C@@H](c2cccs2)[NH+]2CCOCC2)cc1.
What is the InChIKey of 4-methyl-N-[(1S,2R)-1-morpholin-4-ium-4-yl-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide?
The InChIKey is OESLHSHWMJLNRQ-QAPCUYQASA-O. The full InChI is InChI=1S/C18H24N2O3S2/c1-14-5-7-16(8-6-14)25(21,22)19-15(2)18(17-4-3-13-24-17)20-9-11-23-12-10-20/h3-8,13,15,18-19H,9-12H2,1-2H3/p+1/t15-,18+/m1/s1.
What are the key properties of 4-methyl-N-[(1S,2R)-1-morpholin-4-ium-4-yl-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide?
4-methyl-N-[(1S,2R)-1-morpholin-4-ium-4-yl-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide has a molecular weight of 381.54 g/mol, XLogP of 1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(1S,2R)-1-morpholin-4-ium-4-yl-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide is sourced from PubChem (CID 7110851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).