(2S)-2-ethyl-1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylpiperidine

C22H37NO2S — CID 7046169

IUPAC(2S)-2-ethyl-1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylpiperidine
SMILESCC[C@H]1CCCCN1S(=O)(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C
InChIInChI=1S/C22H37NO2S/c1-8-19-11-9-10-12-23(19)26(24,25)22-20(16(4)5)13-18(15(2)3)14-21(22)17(6)7/h13-17,19H,8-12H2,1-7H3/t19-/m0/s1
InChIKeySLLVYVDIXLFMIR-IBGZPJMESA-N
MW379.61 g/mol
LogP6.01
Rot. Bonds6

About (2S)-2-ethyl-1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylpiperidine

(2S)-2-ethyl-1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylpiperidine (PubChem CID 7046169) has the molecular formula C22H37NO2S and a molecular weight of 379.61 g/mol. Its IUPAC name is (2S)-2-ethyl-1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylpiperidine.

Molecular Properties

Compound Name(2S)-2-ethyl-1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylpiperidine
PubChem CID7046169
Molecular FormulaC22H37NO2S
Molecular Weight379.61 g/mol
Exact Mass379.25
IUPAC Name(2S)-2-ethyl-1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylpiperidine
SMILESCC[C@H]1CCCCN1S(=O)(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C
InChIInChI=1S/C22H37NO2S/c1-8-19-11-9-10-12-23(19)26(24,25)22-20(16(4)5)13-18(15(2)3)14-21(22)17(6)7/h13-17,19H,8-12H2,1-7H3/t19-/m0/s1
InChIKeySLLVYVDIXLFMIR-IBGZPJMESA-N
XLogP6.01
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.61
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2S)-2-ethyl-1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylpiperidine 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

2-[(1R)-1-bromoethyl]-1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylpyrrolidine
CID 135059247
4-(2-ethylpiperidin-1-yl)sulfonyl-3,5-dimethylaniline
CID 79588507
trimethyl-[1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylaziridin-2-yl]silane
CID 25198015
4-(2-ethylpiperidin-1-yl)sulfonyl-5-methyl-1,2-oxazol-3-amine
CID 56923137
4-methylsulfonyl-1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylpiperidine
CID 90586582
2-(2-ethylazepan-1-yl)sulfonyl-3-methylaniline
CID 104688760
1-(5-ethoxy-2,4-dimethylphenyl)sulfonyl-2-ethylpiperidine
CID 66486193
1-[5-(chloromethyl)-1-methylpyrrol-3-yl]sulfonyl-2-ethylazepane
CID 104692828
5-[(2R)-2-ethylpiperidin-1-yl]sulfonylisoindole-1,3-dione
CID 100820359
3-(2-ethylpiperidin-1-yl)sulfonylbenzenesulfonyl chloride
CID 43266562
1-(bromomethylsulfonyl)-2-ethylpiperidine
CID 83093366
1-(4-bromo-2-chlorophenyl)sulfonyl-2-ethylpiperidine
CID 42999354

Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethyl-1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylpiperidine?
The IUPAC name of (2S)-2-ethyl-1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylpiperidine (CID 7046169) is (2S)-2-ethyl-1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylpiperidine.
What is the SMILES notation for (2S)-2-ethyl-1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylpiperidine?
The canonical SMILES for (2S)-2-ethyl-1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylpiperidine is CC[C@H]1CCCCN1S(=O)(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C.
What is the InChIKey of (2S)-2-ethyl-1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylpiperidine?
The InChIKey is SLLVYVDIXLFMIR-IBGZPJMESA-N. The full InChI is InChI=1S/C22H37NO2S/c1-8-19-11-9-10-12-23(19)26(24,25)22-20(16(4)5)13-18(15(2)3)14-21(22)17(6)7/h13-17,19H,8-12H2,1-7H3/t19-/m0/s1.
What are the key properties of (2S)-2-ethyl-1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylpiperidine?
(2S)-2-ethyl-1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylpiperidine has a molecular weight of 379.61 g/mol, XLogP of 6.01, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethyl-1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylpiperidine is sourced from PubChem (CID 7046169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).