(3S)-1-(2-ethoxy-5-propan-2-ylphenyl)sulfonyl-3-methylpiperidine

C17H27NO3S — CID 7574254

IUPAC(3S)-1-(2-ethoxy-5-propan-2-ylphenyl)sulfonyl-3-methylpiperidine
SMILESCCOc1ccc(C(C)C)cc1S(=O)(=O)N1CCC[C@H](C)C1
InChIInChI=1S/C17H27NO3S/c1-5-21-16-9-8-15(13(2)3)11-17(16)22(19,20)18-10-6-7-14(4)12-18/h8-9,11,13-14H,5-7,10,12H2,1-4H3/t14-/m0/s1
InChIKeyZMCLZSYUYQHQPT-AWEZNQCLSA-N
MW325.47 g/mol
LogP3.63
Rot. Bonds5

About (3S)-1-(2-ethoxy-5-propan-2-ylphenyl)sulfonyl-3-methylpiperidine

(3S)-1-(2-ethoxy-5-propan-2-ylphenyl)sulfonyl-3-methylpiperidine (PubChem CID 7574254) has the molecular formula C17H27NO3S and a molecular weight of 325.47 g/mol. Its IUPAC name is (3S)-1-(2-ethoxy-5-propan-2-ylphenyl)sulfonyl-3-methylpiperidine.

Molecular Properties

Compound Name(3S)-1-(2-ethoxy-5-propan-2-ylphenyl)sulfonyl-3-methylpiperidine
PubChem CID7574254
Molecular FormulaC17H27NO3S
Molecular Weight325.47 g/mol
Exact Mass325.17
IUPAC Name(3S)-1-(2-ethoxy-5-propan-2-ylphenyl)sulfonyl-3-methylpiperidine
SMILESCCOc1ccc(C(C)C)cc1S(=O)(=O)N1CCC[C@H](C)C1
InChIInChI=1S/C17H27NO3S/c1-5-21-16-9-8-15(13(2)3)11-17(16)22(19,20)18-10-6-7-14(4)12-18/h8-9,11,13-14H,5-7,10,12H2,1-4H3/t14-/m0/s1
InChIKeyZMCLZSYUYQHQPT-AWEZNQCLSA-N
XLogP3.63
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.47
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-diethoxyphenyl)sulfonyl-3-methylpiperidine
CID 66486191
(3S)-1-(5-bromo-2-ethoxyphenyl)sulfonyl-3-methylpiperidine
CID 27211044
1-(4-ethoxy-3-methylphenyl)sulfonyl-3-methylpiperidine
CID 66486200
1-(3,4-dichlorophenyl)-4-(2-ethoxy-5-propan-2-ylphenyl)sulfonylpiperazine
CID 91670220
(3S)-N-[(2R)-butan-2-yl]-1-(5-chloro-2-ethoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 9003818
2-ethoxy-N-[2-[4-(2-ethoxy-5-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethyl]-5-propan-2-ylbenzenesulfonamide
CID 91670271
1-[2,5-diethoxy-4-(tetrazol-1-yl)phenyl]sulfonyl-3-methylpiperidine
CID 3191920
(3R)-1-(5-chloro-2-ethoxyphenyl)sulfonyl-N-[(1R)-1-(4-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 125049728
[1-(5-amino-2-ethoxyphenyl)sulfonylpiperidin-3-yl]methanol
CID 43663013
1-(2,5-diethoxyphenyl)sulfonyl-3,5-dimethylpiperidine
CID 91670208
1-(2-ethoxy-5-methylphenyl)sulfonyl-4-methylpiperidine
CID 47000966
1-(2-chloro-5-propan-2-ylphenyl)sulfonylpiperidin-3-amine
CID 120998781

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-ethoxy-5-propan-2-ylphenyl)sulfonyl-3-methylpiperidine?
The IUPAC name of (3S)-1-(2-ethoxy-5-propan-2-ylphenyl)sulfonyl-3-methylpiperidine (CID 7574254) is (3S)-1-(2-ethoxy-5-propan-2-ylphenyl)sulfonyl-3-methylpiperidine.
What is the SMILES notation for (3S)-1-(2-ethoxy-5-propan-2-ylphenyl)sulfonyl-3-methylpiperidine?
The canonical SMILES for (3S)-1-(2-ethoxy-5-propan-2-ylphenyl)sulfonyl-3-methylpiperidine is CCOc1ccc(C(C)C)cc1S(=O)(=O)N1CCC[C@H](C)C1.
What is the InChIKey of (3S)-1-(2-ethoxy-5-propan-2-ylphenyl)sulfonyl-3-methylpiperidine?
The InChIKey is ZMCLZSYUYQHQPT-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H27NO3S/c1-5-21-16-9-8-15(13(2)3)11-17(16)22(19,20)18-10-6-7-14(4)12-18/h8-9,11,13-14H,5-7,10,12H2,1-4H3/t14-/m0/s1.
What are the key properties of (3S)-1-(2-ethoxy-5-propan-2-ylphenyl)sulfonyl-3-methylpiperidine?
(3S)-1-(2-ethoxy-5-propan-2-ylphenyl)sulfonyl-3-methylpiperidine has a molecular weight of 325.47 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-ethoxy-5-propan-2-ylphenyl)sulfonyl-3-methylpiperidine is sourced from PubChem (CID 7574254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).