[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-4-ethylphenyl]methanamine

C15H24N2O3S — CID 104961561

IUPAC[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-4-ethylphenyl]methanamine
SMILESCCc1ccc(CN)cc1S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C15H24N2O3S/c1-4-14-6-5-13(8-16)7-15(14)21(18,19)17-9-11(2)20-12(3)10-17/h5-7,11-12H,4,8-10,16H2,1-3H3/t11-,12+
InChIKeyLWZVEFSKNYLZRT-TXEJJXNPSA-N
MW312.44 g/mol
LogP1.51
Rot. Bonds4

About [3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-4-ethylphenyl]methanamine

[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-4-ethylphenyl]methanamine (PubChem CID 104961561) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is [3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-4-ethylphenyl]methanamine.

Molecular Properties

Compound Name[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-4-ethylphenyl]methanamine
PubChem CID104961561
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-4-ethylphenyl]methanamine
SMILESCCc1ccc(CN)cc1S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C15H24N2O3S/c1-4-14-6-5-13(8-16)7-15(14)21(18,19)17-9-11(2)20-12(3)10-17/h5-7,11-12H,4,8-10,16H2,1-3H3/t11-,12+
InChIKeyLWZVEFSKNYLZRT-TXEJJXNPSA-N
XLogP1.51
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-4-ethylphenyl]methanamine with MolForge

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Related Compounds

[4-ethyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)phenyl]methanamine
CID 66372288
1-[5-(chloromethyl)-2-ethylphenyl]sulfonyl-3,4-dimethylpyrrolidine
CID 79183302
[4-[(2,6-dimethylmorpholin-4-yl)sulfonylmethyl]phenyl]methanamine
CID 43105697
[4-chloro-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]methanol
CID 104961448
2-[5-(chloromethyl)-2-ethylphenyl]sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 115562815
1-[4-bromo-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-N-methylmethanamine
CID 104961603
[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-2-fluorophenyl]methanamine
CID 104958532
[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-3-fluorophenyl]methanol
CID 104961473
[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-4,5-dimethylphenyl]methanol
CID 104961498
(2S,6R)-4-[5-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylnaphthalen-1-yl]sulfonyl-2,6-dimethylmorpholine
CID 27151755
(2S,6S)-4-(2,5-dimethylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 7510214
4-[4-(bromomethyl)phenyl]sulfonyl-2,6-dimethylmorpholine
CID 65482577

Frequently Asked Questions

What is the IUPAC name of [3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-4-ethylphenyl]methanamine?
The IUPAC name of [3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-4-ethylphenyl]methanamine (CID 104961561) is [3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-4-ethylphenyl]methanamine.
What is the SMILES notation for [3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-4-ethylphenyl]methanamine?
The canonical SMILES for [3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-4-ethylphenyl]methanamine is CCc1ccc(CN)cc1S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1.
What is the InChIKey of [3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-4-ethylphenyl]methanamine?
The InChIKey is LWZVEFSKNYLZRT-TXEJJXNPSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-4-14-6-5-13(8-16)7-15(14)21(18,19)17-9-11(2)20-12(3)10-17/h5-7,11-12H,4,8-10,16H2,1-3H3/t11-,12+.
What are the key properties of [3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-4-ethylphenyl]methanamine?
[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-4-ethylphenyl]methanamine has a molecular weight of 312.44 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-4-ethylphenyl]methanamine is sourced from PubChem (CID 104961561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).