1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-N-methylmethanamine

C14H22N2O3S — CID 104961563

IUPAC1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-N-methylmethanamine
SMILESCNCc1ccccc1S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C14H22N2O3S/c1-11-9-16(10-12(2)19-11)20(17,18)14-7-5-4-6-13(14)8-15-3/h4-7,11-12,15H,8-10H2,1-3H3/t11-,12+
InChIKeyJSPSMKAOUKBVQI-TXEJJXNPSA-N
MW298.41 g/mol
LogP1.20
Rot. Bonds4

About 1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-N-methylmethanamine

1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-N-methylmethanamine (PubChem CID 104961563) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-N-methylmethanamine
PubChem CID104961563
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-N-methylmethanamine
SMILESCNCc1ccccc1S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C14H22N2O3S/c1-11-9-16(10-12(2)19-11)20(17,18)14-7-5-4-6-13(14)8-15-3/h4-7,11-12,15H,8-10H2,1-3H3/t11-,12+
InChIKeyJSPSMKAOUKBVQI-TXEJJXNPSA-N
XLogP1.20
TPSA58.64 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 ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3,4-dimethoxypyrrolidin-1-yl)sulfonylphenyl]-N-methylmethanamine
CID 103541531
(2S,6R)-4-[5-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylnaphthalen-1-yl]sulfonyl-2,6-dimethylmorpholine
CID 27151755
1-[4-bromo-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-N-methylmethanamine
CID 104961603
2-(2,6-dimethylmorpholin-4-yl)sulfonylbenzenecarbothioamide
CID 43093710
1-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-1H-pyrrol-2-yl]-N-methylmethanamine
CID 104961647
1-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-1-methylpyrrol-2-yl]-N-methylmethanamine
CID 104961654
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-6-fluorobenzonitrile
CID 103931359
[4-(2-hydrazinylphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
CID 102933332
2-benzyl-6-methyl-4-(2-methylphenyl)sulfonylmorpholine
CID 110644243
N-[(2-morpholin-4-ylsulfonylphenyl)methyl]propan-2-amine
CID 60721221
(2S,6S)-2,6-dimethyl-4-(2,3,4-trimethylphenyl)sulfonylmorpholine
CID 7177601
2,6-dimethyl-4-(4-phenylphenyl)sulfonylmorpholine
CID 3274124

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-N-methylmethanamine (CID 104961563) is 1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-N-methylmethanamine is CNCc1ccccc1S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1.
What is the InChIKey of 1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-N-methylmethanamine?
The InChIKey is JSPSMKAOUKBVQI-TXEJJXNPSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-11-9-16(10-12(2)19-11)20(17,18)14-7-5-4-6-13(14)8-15-3/h4-7,11-12,15H,8-10H2,1-3H3/t11-,12+.
What are the key properties of 1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-N-methylmethanamine?
1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-N-methylmethanamine has a molecular weight of 298.41 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-N-methylmethanamine is sourced from PubChem (CID 104961563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).