1-(1-cyclopentylsulfonylpiperidin-4-yl)-N-ethylethanamine

C14H28N2O2S — CID 105360397

IUPAC1-(1-cyclopentylsulfonylpiperidin-4-yl)-N-ethylethanamine
SMILESCCNC(C)C1CCN(S(=O)(=O)C2CCCC2)CC1
InChIInChI=1S/C14H28N2O2S/c1-3-15-12(2)13-8-10-16(11-9-13)19(17,18)14-6-4-5-7-14/h12-15H,3-11H2,1-2H3
InChIKeyKVNKKKJSFHEUMR-UHFFFAOYSA-N
MW288.46 g/mol
LogP1.97
Rot. Bonds5

About 1-(1-cyclopentylsulfonylpiperidin-4-yl)-N-ethylethanamine

1-(1-cyclopentylsulfonylpiperidin-4-yl)-N-ethylethanamine (PubChem CID 105360397) has the molecular formula C14H28N2O2S and a molecular weight of 288.46 g/mol. Its IUPAC name is 1-(1-cyclopentylsulfonylpiperidin-4-yl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(1-cyclopentylsulfonylpiperidin-4-yl)-N-ethylethanamine
PubChem CID105360397
Molecular FormulaC14H28N2O2S
Molecular Weight288.46 g/mol
Exact Mass288.19
IUPAC Name1-(1-cyclopentylsulfonylpiperidin-4-yl)-N-ethylethanamine
SMILESCCNC(C)C1CCN(S(=O)(=O)C2CCCC2)CC1
InChIInChI=1S/C14H28N2O2S/c1-3-15-12(2)13-8-10-16(11-9-13)19(17,18)14-6-4-5-7-14/h12-15H,3-11H2,1-2H3
InChIKeyKVNKKKJSFHEUMR-UHFFFAOYSA-N
XLogP1.97
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-N-ethylethanamine
CID 60819244
N-[(1-cyclohexylsulfonylpiperidin-4-yl)methyl]propan-2-amine
CID 63877943
(1S)-1-cyclopropyl-N-ethylethanamine
CID 42056539
N-ethyl-1-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]ethanamine
CID 103413657
1-(1-cyclohexylsulfonylpyrrolidin-3-yl)ethanol
CID 112627564
1-cyclohexylsulfonyl-4-ethylpiperidine;4-propan-2-yl-1-propylsulfonylpiperidine
CID 170610803
N-[(1-cyclohexylsulfonylpiperidin-4-yl)methyl]-2-methylpropan-1-amine
CID 63879103
1-butan-2-yl-4-cyclobutylsulfonylpiperazine
CID 130440353
N-[1-(1-propylsulfonylpiperidin-4-yl)ethyl]propan-1-amine
CID 63853504
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N-ethylethanamine
CID 115781927
(1R)-1-cyclopentyl-N-(2-ethylsulfonylethyl)ethanamine
CID 81394699
2-[1-(ethylamino)ethyl]piperidine-1-sulfonamide
CID 114958523

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopentylsulfonylpiperidin-4-yl)-N-ethylethanamine?
The IUPAC name of 1-(1-cyclopentylsulfonylpiperidin-4-yl)-N-ethylethanamine (CID 105360397) is 1-(1-cyclopentylsulfonylpiperidin-4-yl)-N-ethylethanamine.
What is the SMILES notation for 1-(1-cyclopentylsulfonylpiperidin-4-yl)-N-ethylethanamine?
The canonical SMILES for 1-(1-cyclopentylsulfonylpiperidin-4-yl)-N-ethylethanamine is CCNC(C)C1CCN(S(=O)(=O)C2CCCC2)CC1.
What is the InChIKey of 1-(1-cyclopentylsulfonylpiperidin-4-yl)-N-ethylethanamine?
The InChIKey is KVNKKKJSFHEUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2S/c1-3-15-12(2)13-8-10-16(11-9-13)19(17,18)14-6-4-5-7-14/h12-15H,3-11H2,1-2H3.
What are the key properties of 1-(1-cyclopentylsulfonylpiperidin-4-yl)-N-ethylethanamine?
1-(1-cyclopentylsulfonylpiperidin-4-yl)-N-ethylethanamine has a molecular weight of 288.46 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopentylsulfonylpiperidin-4-yl)-N-ethylethanamine is sourced from PubChem (CID 105360397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).