1-[(3S)-1-[(2S,5S)-2,5-dimethylmorpholin-4-yl]sulfonylpiperidin-3-yl]-N-methylmethanamine

C13H27N3O3S — CID 124778549

IUPAC1-[(3S)-1-[(2S,5S)-2,5-dimethylmorpholin-4-yl]sulfonylpiperidin-3-yl]-N-methylmethanamine
SMILESCNC[C@@H]1CCCN(S(=O)(=O)N2C[C@H](C)OC[C@@H]2C)C1
InChIInChI=1S/C13H27N3O3S/c1-11-10-19-12(2)8-16(11)20(17,18)15-6-4-5-13(9-15)7-14-3/h11-14H,4-10H2,1-3H3/t11-,12-,13-/m0/s1
InChIKeyOCDWKPYPZANZIT-AVGNSLFASA-N
MW305.44 g/mol
LogP0.27
Rot. Bonds4

About 1-[(3S)-1-[(2S,5S)-2,5-dimethylmorpholin-4-yl]sulfonylpiperidin-3-yl]-N-methylmethanamine

1-[(3S)-1-[(2S,5S)-2,5-dimethylmorpholin-4-yl]sulfonylpiperidin-3-yl]-N-methylmethanamine (PubChem CID 124778549) has the molecular formula C13H27N3O3S and a molecular weight of 305.44 g/mol. Its IUPAC name is 1-[(3S)-1-[(2S,5S)-2,5-dimethylmorpholin-4-yl]sulfonylpiperidin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[(3S)-1-[(2S,5S)-2,5-dimethylmorpholin-4-yl]sulfonylpiperidin-3-yl]-N-methylmethanamine
PubChem CID124778549
Molecular FormulaC13H27N3O3S
Molecular Weight305.44 g/mol
Exact Mass305.18
IUPAC Name1-[(3S)-1-[(2S,5S)-2,5-dimethylmorpholin-4-yl]sulfonylpiperidin-3-yl]-N-methylmethanamine
SMILESCNC[C@@H]1CCCN(S(=O)(=O)N2C[C@H](C)OC[C@@H]2C)C1
InChIInChI=1S/C13H27N3O3S/c1-11-10-19-12(2)8-16(11)20(17,18)15-6-4-5-13(9-15)7-14-3/h11-14H,4-10H2,1-3H3/t11-,12-,13-/m0/s1
InChIKeyOCDWKPYPZANZIT-AVGNSLFASA-N
XLogP0.27
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(3S)-1-[(2S,5S)-2,5-dimethylmorpholin-4-yl]sulfonylpiperidin-3-yl]-N-methylmethanamine with MolForge

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Related Compounds

N-methyl-1-[1-(2-propylpiperidin-1-yl)sulfonylpiperidin-3-yl]methanamine
CID 83045255
N-methyl-1-(1-methylsulfonylpiperidin-3-yl)methanamine;hydrochloride
CID 119961049
N-methyl-1-[1-(3-methylpiperidin-1-yl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119977939
1-(1-cyclopentylsulfonylpiperidin-3-yl)-N-methylmethanamine
CID 115752117
(2R,5S)-2,5-dimethyl-4-morpholin-4-ylsulfonylmorpholine
CID 98798030
N-methyl-1-(1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl)methanamine;hydrochloride
CID 119977537
N-methyl-1-[(2R)-1-[(2S)-2-methylmorpholin-4-yl]sulfonylpyrrolidin-2-yl]methanamine
CID 124687548
N-methyl-1-[(2R)-1-[(2R)-2-methylmorpholin-4-yl]sulfonylpyrrolidin-2-yl]methanamine
CID 125147172
(2S,6S)-4-[(2R,5S)-2,5-dimethylmorpholin-4-yl]sulfonyl-2,6-dimethylmorpholine
CID 98700562
[(2S,3S)-1-[(2R,5R)-2,5-dimethylmorpholin-4-yl]sulfonyl-3-methylpiperidin-2-yl]methanamine
CID 125145965
(2S,5R)-2,5-dimethylmorpholine-4-sulfonyl chloride
CID 94843085
3-(methylaminomethyl)-N-[(4-methylcyclohexyl)methyl]piperidine-1-sulfonamide
CID 106062375

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-1-[(2S,5S)-2,5-dimethylmorpholin-4-yl]sulfonylpiperidin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[(3S)-1-[(2S,5S)-2,5-dimethylmorpholin-4-yl]sulfonylpiperidin-3-yl]-N-methylmethanamine (CID 124778549) is 1-[(3S)-1-[(2S,5S)-2,5-dimethylmorpholin-4-yl]sulfonylpiperidin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[(3S)-1-[(2S,5S)-2,5-dimethylmorpholin-4-yl]sulfonylpiperidin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[(3S)-1-[(2S,5S)-2,5-dimethylmorpholin-4-yl]sulfonylpiperidin-3-yl]-N-methylmethanamine is CNC[C@@H]1CCCN(S(=O)(=O)N2C[C@H](C)OC[C@@H]2C)C1.
What is the InChIKey of 1-[(3S)-1-[(2S,5S)-2,5-dimethylmorpholin-4-yl]sulfonylpiperidin-3-yl]-N-methylmethanamine?
The InChIKey is OCDWKPYPZANZIT-AVGNSLFASA-N. The full InChI is InChI=1S/C13H27N3O3S/c1-11-10-19-12(2)8-16(11)20(17,18)15-6-4-5-13(9-15)7-14-3/h11-14H,4-10H2,1-3H3/t11-,12-,13-/m0/s1.
What are the key properties of 1-[(3S)-1-[(2S,5S)-2,5-dimethylmorpholin-4-yl]sulfonylpiperidin-3-yl]-N-methylmethanamine?
1-[(3S)-1-[(2S,5S)-2,5-dimethylmorpholin-4-yl]sulfonylpiperidin-3-yl]-N-methylmethanamine has a molecular weight of 305.44 g/mol, XLogP of 0.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-1-[(2S,5S)-2,5-dimethylmorpholin-4-yl]sulfonylpiperidin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 124778549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).