(3R,4R)-4-ethyl-1-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidine-3,4-diol

C18H28N2O5S — CID 70704257

IUPAC(3R,4R)-4-ethyl-1-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidine-3,4-diol
SMILESCC[C@@]1(O)CCN(Cc2ccc(S(=O)(=O)N3CCOCC3)cc2)C[C@H]1O
InChIInChI=1S/C18H28N2O5S/c1-2-18(22)7-8-19(14-17(18)21)13-15-3-5-16(6-4-15)26(23,24)20-9-11-25-12-10-20/h3-6,17,21-22H,2,7-14H2,1H3/t17-,18-/m1/s1
InChIKeyKLIHWCJJWBJTCI-QZTJIDSGSA-N
MW384.50 g/mol
LogP0.42
Rot. Bonds5

About (3R,4R)-4-ethyl-1-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidine-3,4-diol

(3R,4R)-4-ethyl-1-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidine-3,4-diol (PubChem CID 70704257) has the molecular formula C18H28N2O5S and a molecular weight of 384.50 g/mol. Its IUPAC name is (3R,4R)-4-ethyl-1-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidine-3,4-diol.

Molecular Properties

Compound Name(3R,4R)-4-ethyl-1-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidine-3,4-diol
PubChem CID70704257
Molecular FormulaC18H28N2O5S
Molecular Weight384.50 g/mol
Exact Mass384.17
IUPAC Name(3R,4R)-4-ethyl-1-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidine-3,4-diol
SMILESCC[C@@]1(O)CCN(Cc2ccc(S(=O)(=O)N3CCOCC3)cc2)C[C@H]1O
InChIInChI=1S/C18H28N2O5S/c1-2-18(22)7-8-19(14-17(18)21)13-15-3-5-16(6-4-15)26(23,24)20-9-11-25-12-10-20/h3-6,17,21-22H,2,7-14H2,1H3/t17-,18-/m1/s1
InChIKeyKLIHWCJJWBJTCI-QZTJIDSGSA-N
XLogP0.42
TPSA90.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3R,4R)-4-ethyl-1-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidine-3,4-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-[(3-propan-2-ylpiperidin-1-yl)methyl]phenyl]sulfonylmorpholine
CID 170669176
4-[4-[(3-fluoro-3-methylpiperidin-1-yl)methyl]phenyl]sulfonylmorpholine
CID 169307348
3-fluoro-1-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidin-3-amine
CID 170319766
4-[4-[[3-methyl-3-(2-methylpropyl)azetidin-1-yl]methyl]phenyl]sulfonylmorpholine
CID 163259232
4-[4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]phenyl]sulfonylmorpholine
CID 169307442
4-(4-hexylphenyl)sulfonylmorpholine
CID 84557725
4-[4-(3-chloropropyl)phenyl]sulfonylmorpholine
CID 28719609
4-[[4-(1,3-dihydroisoindol-2-ylsulfonyl)phenyl]methyl]morpholine
CID 71063992
methyl 2-(4-morpholin-4-ylsulfonylphenyl)acetate
CID 559409
4,10-bis-(4-methylphenyl)sulfonyl-1,7-dioxa-4,10-diazacyclododecane
CID 1101145
4-[3-[(3-methylazetidin-1-yl)methyl]phenyl]sulfonylmorpholine
CID 167009339
1-[(4-methylphenyl)methyl]-5-morpholin-4-ylsulfonylpyridin-2-one
CID 53170592

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-ethyl-1-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidine-3,4-diol?
The IUPAC name of (3R,4R)-4-ethyl-1-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidine-3,4-diol (CID 70704257) is (3R,4R)-4-ethyl-1-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidine-3,4-diol.
What is the SMILES notation for (3R,4R)-4-ethyl-1-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidine-3,4-diol?
The canonical SMILES for (3R,4R)-4-ethyl-1-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidine-3,4-diol is CC[C@@]1(O)CCN(Cc2ccc(S(=O)(=O)N3CCOCC3)cc2)C[C@H]1O.
What is the InChIKey of (3R,4R)-4-ethyl-1-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidine-3,4-diol?
The InChIKey is KLIHWCJJWBJTCI-QZTJIDSGSA-N. The full InChI is InChI=1S/C18H28N2O5S/c1-2-18(22)7-8-19(14-17(18)21)13-15-3-5-16(6-4-15)26(23,24)20-9-11-25-12-10-20/h3-6,17,21-22H,2,7-14H2,1H3/t17-,18-/m1/s1.
What are the key properties of (3R,4R)-4-ethyl-1-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidine-3,4-diol?
(3R,4R)-4-ethyl-1-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidine-3,4-diol has a molecular weight of 384.50 g/mol, XLogP of 0.42, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-ethyl-1-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidine-3,4-diol is sourced from PubChem (CID 70704257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).