4-cyano-N-[(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]benzenesulfonamide

C16H23N3O3S — CID 34115245

IUPAC4-cyano-N-[(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]benzenesulfonamide
SMILESC[C@@H]1CN([C@@H](C)CNS(=O)(=O)c2ccc(C#N)cc2)C[C@@H](C)O1
InChIInChI=1S/C16H23N3O3S/c1-12(19-10-13(2)22-14(3)11-19)9-18-23(20,21)16-6-4-15(8-17)5-7-16/h4-7,12-14,18H,9-11H2,1-3H3/t12-,13+,14+/m0/s1
InChIKeyCDIJGVHKPXYSSX-BFHYXJOUSA-N
MW337.45 g/mol
LogP1.33
Rot. Bonds5

About 4-cyano-N-[(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]benzenesulfonamide

4-cyano-N-[(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]benzenesulfonamide (PubChem CID 34115245) has the molecular formula C16H23N3O3S and a molecular weight of 337.45 g/mol. Its IUPAC name is 4-cyano-N-[(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-[(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]benzenesulfonamide
PubChem CID34115245
Molecular FormulaC16H23N3O3S
Molecular Weight337.45 g/mol
Exact Mass337.15
IUPAC Name4-cyano-N-[(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]benzenesulfonamide
SMILESC[C@@H]1CN([C@@H](C)CNS(=O)(=O)c2ccc(C#N)cc2)C[C@@H](C)O1
InChIInChI=1S/C16H23N3O3S/c1-12(19-10-13(2)22-14(3)11-19)9-18-23(20,21)16-6-4-15(8-17)5-7-16/h4-7,12-14,18H,9-11H2,1-3H3/t12-,13+,14+/m0/s1
InChIKeyCDIJGVHKPXYSSX-BFHYXJOUSA-N
XLogP1.33
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-cyano-N-[(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]benzenesulfonamide with MolForge

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Related Compounds

N-[(2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-4-nitrobenzenesulfonamide
CID 34115064
4-cyano-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]benzenesulfonamide
CID 134006879
N-[(2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]methanesulfonamide
CID 94782598
3-cyano-N-(2-piperidin-1-ylpropyl)benzenesulfonamide
CID 61060484
4-cyano-N-[2-(1-propan-2-ylpiperidin-3-yl)ethyl]benzenesulfonamide
CID 56746179
4-cyano-N-(3-methoxy-2-methylpropyl)benzenesulfonamide
CID 47429866
(2S)-N-(4-cyanophenyl)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propanamide
CID 2653628
4-cyano-N-[(2-methylcyclopentyl)methyl]benzenesulfonamide
CID 107418696
4-cyano-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzenesulfonamide
CID 46457730
4-cyano-N-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]benzenesulfonamide
CID 24663361
4-cyano-N-(3-methyl-2-oxobutyl)benzenesulfonamide
CID 64996357
4-cyano-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 55352588

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]benzenesulfonamide?
The IUPAC name of 4-cyano-N-[(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]benzenesulfonamide (CID 34115245) is 4-cyano-N-[(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]benzenesulfonamide.
What is the SMILES notation for 4-cyano-N-[(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]benzenesulfonamide?
The canonical SMILES for 4-cyano-N-[(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]benzenesulfonamide is C[C@@H]1CN([C@@H](C)CNS(=O)(=O)c2ccc(C#N)cc2)C[C@@H](C)O1.
What is the InChIKey of 4-cyano-N-[(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]benzenesulfonamide?
The InChIKey is CDIJGVHKPXYSSX-BFHYXJOUSA-N. The full InChI is InChI=1S/C16H23N3O3S/c1-12(19-10-13(2)22-14(3)11-19)9-18-23(20,21)16-6-4-15(8-17)5-7-16/h4-7,12-14,18H,9-11H2,1-3H3/t12-,13+,14+/m0/s1.
What are the key properties of 4-cyano-N-[(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]benzenesulfonamide?
4-cyano-N-[(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]benzenesulfonamide has a molecular weight of 337.45 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]benzenesulfonamide is sourced from PubChem (CID 34115245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).