4-cyano-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzenesulfonamide

C16H23N3O3S — CID 46457730

IUPAC4-cyano-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzenesulfonamide
SMILESCC(C)CN1CCOC(CNS(=O)(=O)c2ccc(C#N)cc2)C1
InChIInChI=1S/C16H23N3O3S/c1-13(2)11-19-7-8-22-15(12-19)10-18-23(20,21)16-5-3-14(9-17)4-6-16/h3-6,13,15,18H,7-8,10-12H2,1-2H3
InChIKeyZVPFYKLMUGZLMH-UHFFFAOYSA-N
MW337.45 g/mol
LogP1.19
Rot. Bonds6

About 4-cyano-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzenesulfonamide

4-cyano-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzenesulfonamide (PubChem CID 46457730) has the molecular formula C16H23N3O3S and a molecular weight of 337.45 g/mol. Its IUPAC name is 4-cyano-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzenesulfonamide
PubChem CID46457730
Molecular FormulaC16H23N3O3S
Molecular Weight337.45 g/mol
Exact Mass337.15
IUPAC Name4-cyano-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzenesulfonamide
SMILESCC(C)CN1CCOC(CNS(=O)(=O)c2ccc(C#N)cc2)C1
InChIInChI=1S/C16H23N3O3S/c1-13(2)11-19-7-8-22-15(12-19)10-18-23(20,21)16-5-3-14(9-17)4-6-16/h3-6,13,15,18H,7-8,10-12H2,1-2H3
InChIKeyZVPFYKLMUGZLMH-UHFFFAOYSA-N
XLogP1.19
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-cyanophenoxy)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 51214759
5-fluoro-2-methyl-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzenesulfonamide
CID 39656758
1-methyl-4-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfamoyl]pyrrole-2-carboxamide
CID 55573428
2-fluoro-5-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzenesulfonamide
CID 42960735
2-chloro-5-fluoro-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzenesulfonamide
CID 136523526
3-cyano-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
CID 35361039
2-[(4-cyanophenyl)methyl]-1-ethyl-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine
CID 111369911
3-amino-5-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-1,2-oxazole-4-sulfonamide
CID 132971383
3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-4-hydroxybenzenesulfonamide
CID 114399093
N-[(4-ethylmorpholin-2-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 114401040
2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]pyridine-3-carbonitrile
CID 22110783
(2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]butanamide
CID 39484110

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzenesulfonamide?
The IUPAC name of 4-cyano-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzenesulfonamide (CID 46457730) is 4-cyano-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-cyano-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzenesulfonamide?
The canonical SMILES for 4-cyano-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzenesulfonamide is CC(C)CN1CCOC(CNS(=O)(=O)c2ccc(C#N)cc2)C1.
What is the InChIKey of 4-cyano-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzenesulfonamide?
The InChIKey is ZVPFYKLMUGZLMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S/c1-13(2)11-19-7-8-22-15(12-19)10-18-23(20,21)16-5-3-14(9-17)4-6-16/h3-6,13,15,18H,7-8,10-12H2,1-2H3.
What are the key properties of 4-cyano-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzenesulfonamide?
4-cyano-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzenesulfonamide has a molecular weight of 337.45 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 46457730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).