1-(2,5-diethoxyphenyl)sulfonyl-3,5-dimethylpiperidine

C17H27NO4S — CID 91670208

IUPAC1-(2,5-diethoxyphenyl)sulfonyl-3,5-dimethylpiperidine
SMILESCCOc1ccc(OCC)c(S(=O)(=O)N2CC(C)CC(C)C2)c1
InChIInChI=1S/C17H27NO4S/c1-5-21-15-7-8-16(22-6-2)17(10-15)23(19,20)18-11-13(3)9-14(4)12-18/h7-8,10,13-14H,5-6,9,11-12H2,1-4H3
InChIKeyKKTYZQNAOKVJMN-UHFFFAOYSA-N
MW341.47 g/mol
LogP3.15
Rot. Bonds6

About 1-(2,5-diethoxyphenyl)sulfonyl-3,5-dimethylpiperidine

1-(2,5-diethoxyphenyl)sulfonyl-3,5-dimethylpiperidine (PubChem CID 91670208) has the molecular formula C17H27NO4S and a molecular weight of 341.47 g/mol. Its IUPAC name is 1-(2,5-diethoxyphenyl)sulfonyl-3,5-dimethylpiperidine.

Molecular Properties

Compound Name1-(2,5-diethoxyphenyl)sulfonyl-3,5-dimethylpiperidine
PubChem CID91670208
Molecular FormulaC17H27NO4S
Molecular Weight341.47 g/mol
Exact Mass341.17
IUPAC Name1-(2,5-diethoxyphenyl)sulfonyl-3,5-dimethylpiperidine
SMILESCCOc1ccc(OCC)c(S(=O)(=O)N2CC(C)CC(C)C2)c1
InChIInChI=1S/C17H27NO4S/c1-5-21-15-7-8-16(22-6-2)17(10-15)23(19,20)18-11-13(3)9-14(4)12-18/h7-8,10,13-14H,5-6,9,11-12H2,1-4H3
InChIKeyKKTYZQNAOKVJMN-UHFFFAOYSA-N
XLogP3.15
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.47
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-diethoxyphenyl)sulfonyl-3-methylpiperidine
CID 66486191
1-(4-ethoxy-2,3-dimethylphenyl)sulfonyl-3,5-dimethylpiperidine
CID 43845462
3-[4-(2,5-diethoxyphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 121060962
1-(3-chloro-4-methylphenyl)-4-(2,5-diethoxyphenyl)sulfonylpiperazine
CID 1289904
(3S)-1-(5-bromo-2-ethoxyphenyl)sulfonyl-3-methylpiperidine
CID 27211044
4-[4-(2,5-diethoxyphenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine
CID 122343394
1-(2-ethoxy-5-methylphenyl)sulfonyl-4-methylpiperidine
CID 47000966
1-(5-bromo-2-ethoxyphenyl)sulfonylazetidin-3-amine
CID 65245008
1-(3-chloro-2-methylphenyl)-4-(2,5-diethoxyphenyl)sulfonylpiperazine
CID 1178575
(3S)-1-(2-ethoxy-5-propan-2-ylphenyl)sulfonyl-3-methylpiperidine
CID 7574254
(3S,5S)-1-(4-butoxy-3-tert-butylphenyl)sulfonyl-3,5-dimethylpiperidine
CID 35202417
1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-3,5-dimethylpiperidine
CID 43845453

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-diethoxyphenyl)sulfonyl-3,5-dimethylpiperidine?
The IUPAC name of 1-(2,5-diethoxyphenyl)sulfonyl-3,5-dimethylpiperidine (CID 91670208) is 1-(2,5-diethoxyphenyl)sulfonyl-3,5-dimethylpiperidine.
What is the SMILES notation for 1-(2,5-diethoxyphenyl)sulfonyl-3,5-dimethylpiperidine?
The canonical SMILES for 1-(2,5-diethoxyphenyl)sulfonyl-3,5-dimethylpiperidine is CCOc1ccc(OCC)c(S(=O)(=O)N2CC(C)CC(C)C2)c1.
What is the InChIKey of 1-(2,5-diethoxyphenyl)sulfonyl-3,5-dimethylpiperidine?
The InChIKey is KKTYZQNAOKVJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO4S/c1-5-21-15-7-8-16(22-6-2)17(10-15)23(19,20)18-11-13(3)9-14(4)12-18/h7-8,10,13-14H,5-6,9,11-12H2,1-4H3.
What are the key properties of 1-(2,5-diethoxyphenyl)sulfonyl-3,5-dimethylpiperidine?
1-(2,5-diethoxyphenyl)sulfonyl-3,5-dimethylpiperidine has a molecular weight of 341.47 g/mol, XLogP of 3.15, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-diethoxyphenyl)sulfonyl-3,5-dimethylpiperidine is sourced from PubChem (CID 91670208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).