(3S)-3-(ethoxymethyl)-1-(3-methyltriazol-4-yl)sulfonylpiperidine

C11H20N4O3S — CID 164639150

IUPAC(3S)-3-(ethoxymethyl)-1-(3-methyltriazol-4-yl)sulfonylpiperidine
SMILESCCOC[C@H]1CCCN(S(=O)(=O)c2cnnn2C)C1
InChIInChI=1S/C11H20N4O3S/c1-3-18-9-10-5-4-6-15(8-10)19(16,17)11-7-12-13-14(11)2/h7,10H,3-6,8-9H2,1-2H3/t10-/m0/s1
InChIKeyXTCGPVOBYLZZGU-JTQLQIEISA-N
MW288.37 g/mol
LogP0.25
Rot. Bonds5

About (3S)-3-(ethoxymethyl)-1-(3-methyltriazol-4-yl)sulfonylpiperidine

(3S)-3-(ethoxymethyl)-1-(3-methyltriazol-4-yl)sulfonylpiperidine (PubChem CID 164639150) has the molecular formula C11H20N4O3S and a molecular weight of 288.37 g/mol. Its IUPAC name is (3S)-3-(ethoxymethyl)-1-(3-methyltriazol-4-yl)sulfonylpiperidine.

Molecular Properties

Compound Name(3S)-3-(ethoxymethyl)-1-(3-methyltriazol-4-yl)sulfonylpiperidine
PubChem CID164639150
Molecular FormulaC11H20N4O3S
Molecular Weight288.37 g/mol
Exact Mass288.13
IUPAC Name(3S)-3-(ethoxymethyl)-1-(3-methyltriazol-4-yl)sulfonylpiperidine
SMILESCCOC[C@H]1CCCN(S(=O)(=O)c2cnnn2C)C1
InChIInChI=1S/C11H20N4O3S/c1-3-18-9-10-5-4-6-15(8-10)19(16,17)11-7-12-13-14(11)2/h7,10H,3-6,8-9H2,1-2H3/t10-/m0/s1
InChIKeyXTCGPVOBYLZZGU-JTQLQIEISA-N
XLogP0.25
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(ethoxymethyl)-N-ethylpiperidine-1-sulfonamide
CID 110610365
1-(2-chlorophenyl)sulfonyl-3-(ethoxymethyl)piperidine
CID 110418188
1-(3,4-dimethylphenyl)sulfonyl-3-(ethoxymethyl)piperidine
CID 110602793
3-(ethoxymethyl)-1-(3-methylphenyl)sulfonylpiperidine
CID 110418161
N-cyclopentyl-3-(ethoxymethyl)piperidine-1-sulfonamide
CID 110610368
6-[3-(ethoxymethyl)piperidin-1-yl]sulfonyl-1-methyl-3,4-dihydroquinolin-2-one
CID 110610346
2-[(3R)-3-(ethoxymethyl)piperidin-1-yl]sulfonyl-6-fluorobenzonitrile
CID 95781642
1-(4-cyclopentyloxy-2-methylphenyl)sulfonyl-3-(ethoxymethyl)piperidine
CID 110617222
3-(ethoxymethyl)-1-[(2-methylphenyl)methylsulfonyl]piperidine
CID 110602803
3-(ethoxymethyl)-1-ethylpiperidine
CID 91434061
4-(methoxymethyl)-1-(2-methylpyrazol-3-yl)sulfonylazepane
CID 139013446
(3R)-3-(ethoxymethyl)-1-methylpyrrolidine
CID 58134293

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(ethoxymethyl)-1-(3-methyltriazol-4-yl)sulfonylpiperidine?
The IUPAC name of (3S)-3-(ethoxymethyl)-1-(3-methyltriazol-4-yl)sulfonylpiperidine (CID 164639150) is (3S)-3-(ethoxymethyl)-1-(3-methyltriazol-4-yl)sulfonylpiperidine.
What is the SMILES notation for (3S)-3-(ethoxymethyl)-1-(3-methyltriazol-4-yl)sulfonylpiperidine?
The canonical SMILES for (3S)-3-(ethoxymethyl)-1-(3-methyltriazol-4-yl)sulfonylpiperidine is CCOC[C@H]1CCCN(S(=O)(=O)c2cnnn2C)C1.
What is the InChIKey of (3S)-3-(ethoxymethyl)-1-(3-methyltriazol-4-yl)sulfonylpiperidine?
The InChIKey is XTCGPVOBYLZZGU-JTQLQIEISA-N. The full InChI is InChI=1S/C11H20N4O3S/c1-3-18-9-10-5-4-6-15(8-10)19(16,17)11-7-12-13-14(11)2/h7,10H,3-6,8-9H2,1-2H3/t10-/m0/s1.
What are the key properties of (3S)-3-(ethoxymethyl)-1-(3-methyltriazol-4-yl)sulfonylpiperidine?
(3S)-3-(ethoxymethyl)-1-(3-methyltriazol-4-yl)sulfonylpiperidine has a molecular weight of 288.37 g/mol, XLogP of 0.25, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(ethoxymethyl)-1-(3-methyltriazol-4-yl)sulfonylpiperidine is sourced from PubChem (CID 164639150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).