2-ethyl-2-(4-piperidin-3-ylsulfonylphenoxy)butan-1-amine

C17H28N2O3S — CID 70495725

IUPAC2-ethyl-2-(4-piperidin-3-ylsulfonylphenoxy)butan-1-amine
SMILESCCC(CC)(CN)Oc1ccc(S(=O)(=O)C2CCCNC2)cc1
InChIInChI=1S/C17H28N2O3S/c1-3-17(4-2,13-18)22-14-7-9-15(10-8-14)23(20,21)16-6-5-11-19-12-16/h7-10,16,19H,3-6,11-13,18H2,1-2H3
InChIKeyJWUNPFRHHOGTCL-UHFFFAOYSA-N
MW340.49 g/mol
LogP2.11
Rot. Bonds7

About 2-ethyl-2-(4-piperidin-3-ylsulfonylphenoxy)butan-1-amine

2-ethyl-2-(4-piperidin-3-ylsulfonylphenoxy)butan-1-amine (PubChem CID 70495725) has the molecular formula C17H28N2O3S and a molecular weight of 340.49 g/mol. Its IUPAC name is 2-ethyl-2-(4-piperidin-3-ylsulfonylphenoxy)butan-1-amine.

Molecular Properties

Compound Name2-ethyl-2-(4-piperidin-3-ylsulfonylphenoxy)butan-1-amine
PubChem CID70495725
Molecular FormulaC17H28N2O3S
Molecular Weight340.49 g/mol
Exact Mass340.18
IUPAC Name2-ethyl-2-(4-piperidin-3-ylsulfonylphenoxy)butan-1-amine
SMILESCCC(CC)(CN)Oc1ccc(S(=O)(=O)C2CCCNC2)cc1
InChIInChI=1S/C17H28N2O3S/c1-3-17(4-2,13-18)22-14-7-9-15(10-8-14)23(20,21)16-6-5-11-19-12-16/h7-10,16,19H,3-6,11-13,18H2,1-2H3
InChIKeyJWUNPFRHHOGTCL-UHFFFAOYSA-N
XLogP2.11
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-ethoxyphenyl)sulfonylpyrrolidine
CID 82299275
3-(benzenesulfonyl)piperidine;ethane
CID 142376077
(4-piperidin-3-ylsulfonylphenyl)boronic acid
CID 90455333
(3R)-3-(4-methylphenyl)sulfonylpyrrolidine
CID 7016814
4-(4-ethoxyphenyl)sulfonylpiperidine
CID 18538560
3-(4-cyclopropylsulfonylphenyl)piperidine
CID 117417990
4-(4-ethoxyphenyl)sulfonylpiperidine;hydrochloride
CID 18538559
4-methoxy-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 119968609
2-piperidin-3-ylsulfonylpyrimidine
CID 71645525
3-[[4-(trifluoromethylsulfonyl)phenoxy]methyl]pyrrolidine
CID 62371607
3-methyl-6-[(3S)-piperidin-3-yl]sulfonylpyridazine
CID 97162930
N-(1-amino-2-methylpropan-2-yl)-4-cyclopentylsulfonylbenzamide
CID 119523127

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(4-piperidin-3-ylsulfonylphenoxy)butan-1-amine?
The IUPAC name of 2-ethyl-2-(4-piperidin-3-ylsulfonylphenoxy)butan-1-amine (CID 70495725) is 2-ethyl-2-(4-piperidin-3-ylsulfonylphenoxy)butan-1-amine.
What is the SMILES notation for 2-ethyl-2-(4-piperidin-3-ylsulfonylphenoxy)butan-1-amine?
The canonical SMILES for 2-ethyl-2-(4-piperidin-3-ylsulfonylphenoxy)butan-1-amine is CCC(CC)(CN)Oc1ccc(S(=O)(=O)C2CCCNC2)cc1.
What is the InChIKey of 2-ethyl-2-(4-piperidin-3-ylsulfonylphenoxy)butan-1-amine?
The InChIKey is JWUNPFRHHOGTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3S/c1-3-17(4-2,13-18)22-14-7-9-15(10-8-14)23(20,21)16-6-5-11-19-12-16/h7-10,16,19H,3-6,11-13,18H2,1-2H3.
What are the key properties of 2-ethyl-2-(4-piperidin-3-ylsulfonylphenoxy)butan-1-amine?
2-ethyl-2-(4-piperidin-3-ylsulfonylphenoxy)butan-1-amine has a molecular weight of 340.49 g/mol, XLogP of 2.11, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(4-piperidin-3-ylsulfonylphenoxy)butan-1-amine is sourced from PubChem (CID 70495725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).