(2R)-1-(4-ethoxyphenyl)sulfonyl-2-methylpiperidine

C14H21NO3S — CID 847002

IUPAC(2R)-1-(4-ethoxyphenyl)sulfonyl-2-methylpiperidine
SMILESCCOc1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1
InChIInChI=1S/C14H21NO3S/c1-3-18-13-7-9-14(10-8-13)19(16,17)15-11-5-4-6-12(15)2/h7-10,12H,3-6,11H2,1-2H3/t12-/m1/s1
InChIKeyFDHOKTGHZOGBNI-GFCCVEGCSA-N
MW283.39 g/mol
LogP2.65
Rot. Bonds4

About (2R)-1-(4-ethoxyphenyl)sulfonyl-2-methylpiperidine

(2R)-1-(4-ethoxyphenyl)sulfonyl-2-methylpiperidine (PubChem CID 847002) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is (2R)-1-(4-ethoxyphenyl)sulfonyl-2-methylpiperidine.

Molecular Properties

Compound Name(2R)-1-(4-ethoxyphenyl)sulfonyl-2-methylpiperidine
PubChem CID847002
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name(2R)-1-(4-ethoxyphenyl)sulfonyl-2-methylpiperidine
SMILESCCOc1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1
InChIInChI=1S/C14H21NO3S/c1-3-18-13-7-9-14(10-8-13)19(16,17)15-11-5-4-6-12(15)2/h7-10,12H,3-6,11H2,1-2H3/t12-/m1/s1
InChIKeyFDHOKTGHZOGBNI-GFCCVEGCSA-N
XLogP2.65
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-5-[(2R)-2-methylpiperidin-1-yl]sulfonylpyridine
CID 97348801
N-methyl-2-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenoxy]acetamide
CID 100814362
(2R,6R)-1-(4-ethoxyphenyl)sulfonyl-2,6-dimethylpiperidine
CID 40514291
(2S)-2-methyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine
CID 1168281
2-methyl-1-(4-propylphenyl)sulfonylpiperidine
CID 17375823
(2S)-1-(4-chlorophenyl)sulfonyl-2-methylpiperidine
CID 668791
N-[(4-ethoxyphenyl)methyl]-N,2-dimethyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 46654602
methyl 1-(4-ethoxyphenyl)sulfonylpyrrolidine-2-carboxylate
CID 43409870
4-(4-ethoxyphenyl)sulfonyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 110314611
2-methyl-1-(4-pentylphenyl)sulfonylpiperidine
CID 3419634
N-[1-(4-ethoxyphenyl)ethyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 134010192
3-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]prop-2-yn-1-amine
CID 60844774

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-ethoxyphenyl)sulfonyl-2-methylpiperidine?
The IUPAC name of (2R)-1-(4-ethoxyphenyl)sulfonyl-2-methylpiperidine (CID 847002) is (2R)-1-(4-ethoxyphenyl)sulfonyl-2-methylpiperidine.
What is the SMILES notation for (2R)-1-(4-ethoxyphenyl)sulfonyl-2-methylpiperidine?
The canonical SMILES for (2R)-1-(4-ethoxyphenyl)sulfonyl-2-methylpiperidine is CCOc1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1.
What is the InChIKey of (2R)-1-(4-ethoxyphenyl)sulfonyl-2-methylpiperidine?
The InChIKey is FDHOKTGHZOGBNI-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-3-18-13-7-9-14(10-8-13)19(16,17)15-11-5-4-6-12(15)2/h7-10,12H,3-6,11H2,1-2H3/t12-/m1/s1.
What are the key properties of (2R)-1-(4-ethoxyphenyl)sulfonyl-2-methylpiperidine?
(2R)-1-(4-ethoxyphenyl)sulfonyl-2-methylpiperidine has a molecular weight of 283.39 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-ethoxyphenyl)sulfonyl-2-methylpiperidine is sourced from PubChem (CID 847002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).