4-[(3R)-1-benzylsulfonylpiperidin-3-yl]morpholine

C16H24N2O3S — CID 25384275

IUPAC4-[(3R)-1-benzylsulfonylpiperidin-3-yl]morpholine
SMILESO=S(=O)(Cc1ccccc1)N1CCC[C@@H](N2CCOCC2)C1
InChIInChI=1S/C16H24N2O3S/c19-22(20,14-15-5-2-1-3-6-15)18-8-4-7-16(13-18)17-9-11-21-12-10-17/h1-3,5-6,16H,4,7-14H2/t16-/m1/s1
InChIKeyGUKVOVDYCJODGS-MRXNPFEDSA-N
MW324.45 g/mol
LogP1.31
Rot. Bonds4

About 4-[(3R)-1-benzylsulfonylpiperidin-3-yl]morpholine

4-[(3R)-1-benzylsulfonylpiperidin-3-yl]morpholine (PubChem CID 25384275) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is 4-[(3R)-1-benzylsulfonylpiperidin-3-yl]morpholine.

Molecular Properties

Compound Name4-[(3R)-1-benzylsulfonylpiperidin-3-yl]morpholine
PubChem CID25384275
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Name4-[(3R)-1-benzylsulfonylpiperidin-3-yl]morpholine
SMILESO=S(=O)(Cc1ccccc1)N1CCC[C@@H](N2CCOCC2)C1
InChIInChI=1S/C16H24N2O3S/c19-22(20,14-15-5-2-1-3-6-15)18-8-4-7-16(13-18)17-9-11-21-12-10-17/h1-3,5-6,16H,4,7-14H2/t16-/m1/s1
InChIKeyGUKVOVDYCJODGS-MRXNPFEDSA-N
XLogP1.31
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-benzylsulfonylpiperidin-3-ol
CID 92966032
1-[(3R)-1-benzylsulfonylpiperidin-3-yl]-4-(2-methoxyphenyl)piperazine
CID 42291255
2-(2-phenylethylsulfonyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 86768437
1-benzylsulfonylpiperidine-3-carboxylic acid
CID 16773365
3-[[(9aS)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]sulfonylmethyl]benzonitrile
CID 124740854
1-benzylsulfonyl-N-methylpiperidin-3-amine;hydrochloride
CID 120714938
4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylsulfonylmethyl)aniline
CID 61107563
(3S)-1-benzylsulfonyl-N'-(cyclopropanecarbonyl)piperidine-3-carbohydrazide
CID 1444999
1,5,9-tris(benzylsulfonyl)-3-(chloromethyl)-1,5,9-triazacyclododecane
CID 140984161
2-benzyl-4-benzylsulfonylmorpholine
CID 71801614
2-(1-benzylsulfonylpiperidin-3-yl)oxypyrimidine
CID 122257583
1-benzylsulfonyl-4-(2,3-dihydro-1H-inden-2-yl)piperazine
CID 1151771

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-1-benzylsulfonylpiperidin-3-yl]morpholine?
The IUPAC name of 4-[(3R)-1-benzylsulfonylpiperidin-3-yl]morpholine (CID 25384275) is 4-[(3R)-1-benzylsulfonylpiperidin-3-yl]morpholine.
What is the SMILES notation for 4-[(3R)-1-benzylsulfonylpiperidin-3-yl]morpholine?
The canonical SMILES for 4-[(3R)-1-benzylsulfonylpiperidin-3-yl]morpholine is O=S(=O)(Cc1ccccc1)N1CCC[C@@H](N2CCOCC2)C1.
What is the InChIKey of 4-[(3R)-1-benzylsulfonylpiperidin-3-yl]morpholine?
The InChIKey is GUKVOVDYCJODGS-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H24N2O3S/c19-22(20,14-15-5-2-1-3-6-15)18-8-4-7-16(13-18)17-9-11-21-12-10-17/h1-3,5-6,16H,4,7-14H2/t16-/m1/s1.
What are the key properties of 4-[(3R)-1-benzylsulfonylpiperidin-3-yl]morpholine?
4-[(3R)-1-benzylsulfonylpiperidin-3-yl]morpholine has a molecular weight of 324.45 g/mol, XLogP of 1.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-1-benzylsulfonylpiperidin-3-yl]morpholine is sourced from PubChem (CID 25384275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).