[4-[(2,6-dimethylmorpholin-4-yl)sulfonylmethyl]phenyl]methanamine

C14H22N2O3S — CID 43105697

IUPAC[4-[(2,6-dimethylmorpholin-4-yl)sulfonylmethyl]phenyl]methanamine
SMILESCC1CN(S(=O)(=O)Cc2ccc(CN)cc2)CC(C)O1
InChIInChI=1S/C14H22N2O3S/c1-11-8-16(9-12(2)19-11)20(17,18)10-14-5-3-13(7-15)4-6-14/h3-6,11-12H,7-10,15H2,1-2H3
InChIKeyYFEUGDZRJADLPX-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.08
Rot. Bonds4

About [4-[(2,6-dimethylmorpholin-4-yl)sulfonylmethyl]phenyl]methanamine

[4-[(2,6-dimethylmorpholin-4-yl)sulfonylmethyl]phenyl]methanamine (PubChem CID 43105697) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is [4-[(2,6-dimethylmorpholin-4-yl)sulfonylmethyl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[(2,6-dimethylmorpholin-4-yl)sulfonylmethyl]phenyl]methanamine
PubChem CID43105697
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name[4-[(2,6-dimethylmorpholin-4-yl)sulfonylmethyl]phenyl]methanamine
SMILESCC1CN(S(=O)(=O)Cc2ccc(CN)cc2)CC(C)O1
InChIInChI=1S/C14H22N2O3S/c1-11-8-16(9-12(2)19-11)20(17,18)10-14-5-3-13(7-15)4-6-14/h3-6,11-12H,7-10,15H2,1-2H3
InChIKeyYFEUGDZRJADLPX-UHFFFAOYSA-N
XLogP1.08
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylmethyl]phenyl]methanol
CID 104961468
3-[(2,6-dimethylmorpholin-4-yl)sulfonylmethyl]benzoic acid
CID 43362418
2-methyl-4-[(4-methylphenyl)methylsulfonyl]-6-phenylmorpholine
CID 110369031
[4-[(4-methylazepan-1-yl)sulfonylmethyl]phenyl]methanamine
CID 63623208
[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-4-ethylphenyl]methanamine
CID 104961561
2-[1-[[4-(aminomethyl)phenyl]methylsulfonyl]pyrrolidin-3-yl]ethanol
CID 114797376
1-[4-[(3,4-dimethylpyrrolidin-1-yl)sulfonylmethyl]phenyl]-N-methylmethanamine
CID 79187487
2,6-dimethyl-4-[(2-nitrophenyl)methylsulfonyl]morpholine
CID 4994526
1-benzylsulfonyl-3,5-dimethylpiperidine
CID 3113494
[4-[(2-ethylpyrrolidin-1-yl)sulfonylmethyl]phenyl]methanamine
CID 54885835
4-[4-(bromomethyl)phenyl]sulfonyl-2,6-dimethylmorpholine
CID 65482577
4-[(2-methyl-1,4-oxazepan-4-yl)sulfonylmethyl]benzoic acid
CID 62988331

Frequently Asked Questions

What is the IUPAC name of [4-[(2,6-dimethylmorpholin-4-yl)sulfonylmethyl]phenyl]methanamine?
The IUPAC name of [4-[(2,6-dimethylmorpholin-4-yl)sulfonylmethyl]phenyl]methanamine (CID 43105697) is [4-[(2,6-dimethylmorpholin-4-yl)sulfonylmethyl]phenyl]methanamine.
What is the SMILES notation for [4-[(2,6-dimethylmorpholin-4-yl)sulfonylmethyl]phenyl]methanamine?
The canonical SMILES for [4-[(2,6-dimethylmorpholin-4-yl)sulfonylmethyl]phenyl]methanamine is CC1CN(S(=O)(=O)Cc2ccc(CN)cc2)CC(C)O1.
What is the InChIKey of [4-[(2,6-dimethylmorpholin-4-yl)sulfonylmethyl]phenyl]methanamine?
The InChIKey is YFEUGDZRJADLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-11-8-16(9-12(2)19-11)20(17,18)10-14-5-3-13(7-15)4-6-14/h3-6,11-12H,7-10,15H2,1-2H3.
What are the key properties of [4-[(2,6-dimethylmorpholin-4-yl)sulfonylmethyl]phenyl]methanamine?
[4-[(2,6-dimethylmorpholin-4-yl)sulfonylmethyl]phenyl]methanamine has a molecular weight of 298.41 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2,6-dimethylmorpholin-4-yl)sulfonylmethyl]phenyl]methanamine is sourced from PubChem (CID 43105697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).