N-(cyclopentylmethyl)-1-ethylsulfonylpiperidin-4-amine

C13H26N2O2S — CID 62069812

IUPACN-(cyclopentylmethyl)-1-ethylsulfonylpiperidin-4-amine
SMILESCCS(=O)(=O)N1CCC(NCC2CCCC2)CC1
InChIInChI=1S/C13H26N2O2S/c1-2-18(16,17)15-9-7-13(8-10-15)14-11-12-5-3-4-6-12/h12-14H,2-11H2,1H3
InChIKeyRJNITVFDAGXGQI-UHFFFAOYSA-N
MW274.43 g/mol
LogP1.58
Rot. Bonds5

About N-(cyclopentylmethyl)-1-ethylsulfonylpiperidin-4-amine

N-(cyclopentylmethyl)-1-ethylsulfonylpiperidin-4-amine (PubChem CID 62069812) has the molecular formula C13H26N2O2S and a molecular weight of 274.43 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-1-ethylsulfonylpiperidin-4-amine.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-1-ethylsulfonylpiperidin-4-amine
PubChem CID62069812
Molecular FormulaC13H26N2O2S
Molecular Weight274.43 g/mol
Exact Mass274.17
IUPAC NameN-(cyclopentylmethyl)-1-ethylsulfonylpiperidin-4-amine
SMILESCCS(=O)(=O)N1CCC(NCC2CCCC2)CC1
InChIInChI=1S/C13H26N2O2S/c1-2-18(16,17)15-9-7-13(8-10-15)14-11-12-5-3-4-6-12/h12-14H,2-11H2,1H3
InChIKeyRJNITVFDAGXGQI-UHFFFAOYSA-N
XLogP1.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-1-ethylsulfonylpiperidin-4-amine?
The IUPAC name of N-(cyclopentylmethyl)-1-ethylsulfonylpiperidin-4-amine (CID 62069812) is N-(cyclopentylmethyl)-1-ethylsulfonylpiperidin-4-amine.
What is the SMILES notation for N-(cyclopentylmethyl)-1-ethylsulfonylpiperidin-4-amine?
The canonical SMILES for N-(cyclopentylmethyl)-1-ethylsulfonylpiperidin-4-amine is CCS(=O)(=O)N1CCC(NCC2CCCC2)CC1.
What is the InChIKey of N-(cyclopentylmethyl)-1-ethylsulfonylpiperidin-4-amine?
The InChIKey is RJNITVFDAGXGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2S/c1-2-18(16,17)15-9-7-13(8-10-15)14-11-12-5-3-4-6-12/h12-14H,2-11H2,1H3.
What are the key properties of N-(cyclopentylmethyl)-1-ethylsulfonylpiperidin-4-amine?
N-(cyclopentylmethyl)-1-ethylsulfonylpiperidin-4-amine has a molecular weight of 274.43 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-1-ethylsulfonylpiperidin-4-amine is sourced from PubChem (CID 62069812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).