1-cyclopentyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]ethanamine

C14H28N2O2S — CID 79609473

IUPAC1-cyclopentyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]ethanamine
SMILESCC(NCC1CCCN(S(C)(=O)=O)C1)C1CCCC1
InChIInChI=1S/C14H28N2O2S/c1-12(14-7-3-4-8-14)15-10-13-6-5-9-16(11-13)19(2,17)18/h12-15H,3-11H2,1-2H3
InChIKeyFXSIZBWUEPISKT-UHFFFAOYSA-N
MW288.46 g/mol
LogP1.83
Rot. Bonds5

About 1-cyclopentyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]ethanamine

1-cyclopentyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]ethanamine (PubChem CID 79609473) has the molecular formula C14H28N2O2S and a molecular weight of 288.46 g/mol. Its IUPAC name is 1-cyclopentyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-cyclopentyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]ethanamine
PubChem CID79609473
Molecular FormulaC14H28N2O2S
Molecular Weight288.46 g/mol
Exact Mass288.19
IUPAC Name1-cyclopentyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]ethanamine
SMILESCC(NCC1CCCN(S(C)(=O)=O)C1)C1CCCC1
InChIInChI=1S/C14H28N2O2S/c1-12(14-7-3-4-8-14)15-10-13-6-5-9-16(11-13)19(2,17)18/h12-15H,3-11H2,1-2H3
InChIKeyFXSIZBWUEPISKT-UHFFFAOYSA-N
XLogP1.83
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 ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-methylsulfonylpiperidin-3-yl)methylamino]propane-1,3-diol
CID 79609730
2-[(1-methylsulfonylpiperidin-3-yl)methylamino]propanoic acid
CID 79609766
(2S)-2-[(1-methylsulfonylpiperidin-3-yl)methylamino]propanoic acid
CID 83194002
(2S)-3-methyl-2-[(1-methylsulfonylpiperidin-3-yl)methylamino]butan-1-ol
CID 79611765
1-chloro-N-[(1-methylsulfonylpiperidin-3-yl)methyl]butan-2-amine
CID 79622216
1-methylsulfinyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]propan-2-amine
CID 113486455
N-methyl-1-(1-methylsulfonylpiperidin-3-yl)methanamine;hydrochloride
CID 119961049
N-ethyl-1-(1-methylsulfonylpiperidin-3-yl)propan-2-amine
CID 79611008
3-methyl-4-[(1-methylsulfonylpiperidin-3-yl)methylamino]butan-1-ol
CID 79613327
(1R)-N-(cyclobutylmethyl)-1-cyclopentylethanamine
CID 81393857
N-[(1-methylsulfonylpiperidin-3-yl)methyl]propan-1-amine
CID 63878581
7-methyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]octan-1-amine
CID 107814961

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]ethanamine?
The IUPAC name of 1-cyclopentyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]ethanamine (CID 79609473) is 1-cyclopentyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]ethanamine.
What is the SMILES notation for 1-cyclopentyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]ethanamine?
The canonical SMILES for 1-cyclopentyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]ethanamine is CC(NCC1CCCN(S(C)(=O)=O)C1)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]ethanamine?
The InChIKey is FXSIZBWUEPISKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2S/c1-12(14-7-3-4-8-14)15-10-13-6-5-9-16(11-13)19(2,17)18/h12-15H,3-11H2,1-2H3.
What are the key properties of 1-cyclopentyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]ethanamine?
1-cyclopentyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]ethanamine has a molecular weight of 288.46 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]ethanamine is sourced from PubChem (CID 79609473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).