1-[1-(cyclohexylmethylsulfonyl)piperidin-3-yl]ethanamine

C14H28N2O2S — CID 63853138

IUPAC1-[1-(cyclohexylmethylsulfonyl)piperidin-3-yl]ethanamine
SMILESCC(N)C1CCCN(S(=O)(=O)CC2CCCCC2)C1
InChIInChI=1S/C14H28N2O2S/c1-12(15)14-8-5-9-16(10-14)19(17,18)11-13-6-3-2-4-7-13/h12-14H,2-11,15H2,1H3
InChIKeyNCJJJMRNENSHOB-UHFFFAOYSA-N
MW288.46 g/mol
LogP1.96
Rot. Bonds4

About 1-[1-(cyclohexylmethylsulfonyl)piperidin-3-yl]ethanamine

1-[1-(cyclohexylmethylsulfonyl)piperidin-3-yl]ethanamine (PubChem CID 63853138) has the molecular formula C14H28N2O2S and a molecular weight of 288.46 g/mol. Its IUPAC name is 1-[1-(cyclohexylmethylsulfonyl)piperidin-3-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(cyclohexylmethylsulfonyl)piperidin-3-yl]ethanamine
PubChem CID63853138
Molecular FormulaC14H28N2O2S
Molecular Weight288.46 g/mol
Exact Mass288.19
IUPAC Name1-[1-(cyclohexylmethylsulfonyl)piperidin-3-yl]ethanamine
SMILESCC(N)C1CCCN(S(=O)(=O)CC2CCCCC2)C1
InChIInChI=1S/C14H28N2O2S/c1-12(15)14-8-5-9-16(10-14)19(17,18)11-13-6-3-2-4-7-13/h12-14H,2-11,15H2,1H3
InChIKeyNCJJJMRNENSHOB-UHFFFAOYSA-N
XLogP1.96
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclohexylmethylsulfonyl)piperidin-3-yl]ethanamine?
The IUPAC name of 1-[1-(cyclohexylmethylsulfonyl)piperidin-3-yl]ethanamine (CID 63853138) is 1-[1-(cyclohexylmethylsulfonyl)piperidin-3-yl]ethanamine.
What is the SMILES notation for 1-[1-(cyclohexylmethylsulfonyl)piperidin-3-yl]ethanamine?
The canonical SMILES for 1-[1-(cyclohexylmethylsulfonyl)piperidin-3-yl]ethanamine is CC(N)C1CCCN(S(=O)(=O)CC2CCCCC2)C1.
What is the InChIKey of 1-[1-(cyclohexylmethylsulfonyl)piperidin-3-yl]ethanamine?
The InChIKey is NCJJJMRNENSHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2S/c1-12(15)14-8-5-9-16(10-14)19(17,18)11-13-6-3-2-4-7-13/h12-14H,2-11,15H2,1H3.
What are the key properties of 1-[1-(cyclohexylmethylsulfonyl)piperidin-3-yl]ethanamine?
1-[1-(cyclohexylmethylsulfonyl)piperidin-3-yl]ethanamine has a molecular weight of 288.46 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclohexylmethylsulfonyl)piperidin-3-yl]ethanamine is sourced from PubChem (CID 63853138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).