3-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N,N-dimethylbenzenesulfonamide

C15H24N2O3S — CID 29430254

IUPAC3-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N,N-dimethylbenzenesulfonamide
SMILESC[C@@H]1CN(Cc2cccc(S(=O)(=O)N(C)C)c2)C[C@@H](C)O1
InChIInChI=1S/C15H24N2O3S/c1-12-9-17(10-13(2)20-12)11-14-6-5-7-15(8-14)21(18,19)16(3)4/h5-8,12-13H,9-11H2,1-4H3/t12-,13-/m1/s1
InChIKeyKPYYUDAESJZIMF-CHWSQXEVSA-N
MW312.44 g/mol
LogP1.55
Rot. Bonds4

About 3-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N,N-dimethylbenzenesulfonamide

3-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N,N-dimethylbenzenesulfonamide (PubChem CID 29430254) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 3-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N,N-dimethylbenzenesulfonamide
PubChem CID29430254
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name3-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N,N-dimethylbenzenesulfonamide
SMILESC[C@@H]1CN(Cc2cccc(S(=O)(=O)N(C)C)c2)C[C@@H](C)O1
InChIInChI=1S/C15H24N2O3S/c1-12-9-17(10-13(2)20-12)11-14-6-5-7-15(8-14)21(18,19)16(3)4/h5-8,12-13H,9-11H2,1-4H3/t12-,13-/m1/s1
InChIKeyKPYYUDAESJZIMF-CHWSQXEVSA-N
XLogP1.55
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3,5-dimethylpiperazin-1-yl)methyl]-N,N-dimethylbenzenesulfonamide;hydrochloride
CID 119923881
2,6-dimethyl-4-[(3-morpholin-4-ylsulfonylphenyl)methyl]morpholine
CID 18135067
3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-N,N-dimethylbenzenesulfonamide
CID 114681418
(2S,6R)-4-[(3-bromophenyl)methyl]-2,6-dimethylmorpholine
CID 779466
N,N-dimethyl-3-[(4-phenylpiperazin-1-yl)methyl]benzenesulfonamide
CID 27134749
3-[[4-(aminomethyl)-2-methylpyrrolidin-1-yl]methyl]-N,N-dimethylbenzenesulfonamide
CID 115486456
3-[(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)methyl]-N,N-dimethylbenzenesulfonamide
CID 47004137
N,N-dimethyl-3-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]benzenesulfonamide
CID 134055383
3-[3-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]propanoic acid
CID 84758606
N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-3-(dimethylsulfamoyl)benzamide
CID 18289694
3-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-N,N-dimethylbenzenesulfonamide
CID 27159090
3-(chloromethyl)-N,N-dimethylbenzenesulfonamide
CID 2106886

Frequently Asked Questions

What is the IUPAC name of 3-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 3-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N,N-dimethylbenzenesulfonamide (CID 29430254) is 3-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 3-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N,N-dimethylbenzenesulfonamide is C[C@@H]1CN(Cc2cccc(S(=O)(=O)N(C)C)c2)C[C@@H](C)O1.
What is the InChIKey of 3-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N,N-dimethylbenzenesulfonamide?
The InChIKey is KPYYUDAESJZIMF-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-12-9-17(10-13(2)20-12)11-14-6-5-7-15(8-14)21(18,19)16(3)4/h5-8,12-13H,9-11H2,1-4H3/t12-,13-/m1/s1.
What are the key properties of 3-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N,N-dimethylbenzenesulfonamide?
3-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N,N-dimethylbenzenesulfonamide has a molecular weight of 312.44 g/mol, XLogP of 1.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 29430254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).