(2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide

C18H30N3O4S+ — CID 9356678

IUPAC(2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
SMILESCC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)[NH+]2C[C@@H](C)O[C@@H](C)C2)cc1
InChIInChI=1S/C18H29N3O4S/c1-12(2)20-26(23,24)17-8-6-16(7-9-17)19-18(22)15(5)21-10-13(3)25-14(4)11-21/h6-9,12-15,20H,10-11H2,1-5H3,(H,19,22)/p+1/t13-,14+,15-/m0/s1
InChIKeyBKRLUWJENQJVCQ-ZNMIVQPWSA-O
MW384.52 g/mol
LogP0.39
Rot. Bonds6

About (2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide

(2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide (PubChem CID 9356678) has the molecular formula C18H30N3O4S+ and a molecular weight of 384.52 g/mol. Its IUPAC name is (2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
PubChem CID9356678
Molecular FormulaC18H30N3O4S+
Molecular Weight384.52 g/mol
Exact Mass384.20
IUPAC Name(2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
SMILESCC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)[NH+]2C[C@@H](C)O[C@@H](C)C2)cc1
InChIInChI=1S/C18H29N3O4S/c1-12(2)20-26(23,24)17-8-6-16(7-9-17)19-18(22)15(5)21-10-13(3)25-14(4)11-21/h6-9,12-15,20H,10-11H2,1-5H3,(H,19,22)/p+1/t13-,14+,15-/m0/s1
InChIKeyBKRLUWJENQJVCQ-ZNMIVQPWSA-O
XLogP0.39
TPSA88.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide with MolForge

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Related Compounds

(2S)-2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(4-methoxyphenyl)propanamide
CID 9249004
(2S)-N-[4-(difluoromethylsulfanyl)phenyl]-2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]propanamide
CID 9248974
(2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(3-fluorophenyl)propanamide
CID 9249008
(2S)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]propanamide
CID 8899041
2-amino-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide;hydrochloride
CID 119269225
2-[[4-(propan-2-ylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 2967476
N-(4-acetamidophenyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 27648936
[(2R)-1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl] cyclopropanecarboxylate
CID 7863711
2-amino-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide
CID 61259711
2,2-diphenyl-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 1263402
(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(9-ethylcarbazol-3-yl)propanamide
CID 8933608
N-[3-[[1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl]amino]phenyl]cyclopropanecarboxamide
CID 55571147

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide?
The IUPAC name of (2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide (CID 9356678) is (2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for (2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide?
The canonical SMILES for (2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide is CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)[NH+]2C[C@@H](C)O[C@@H](C)C2)cc1.
What is the InChIKey of (2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide?
The InChIKey is BKRLUWJENQJVCQ-ZNMIVQPWSA-O. The full InChI is InChI=1S/C18H29N3O4S/c1-12(2)20-26(23,24)17-8-6-16(7-9-17)19-18(22)15(5)21-10-13(3)25-14(4)11-21/h6-9,12-15,20H,10-11H2,1-5H3,(H,19,22)/p+1/t13-,14+,15-/m0/s1.
What are the key properties of (2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide?
(2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide has a molecular weight of 384.52 g/mol, XLogP of 0.39, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 9356678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).