N-(2-cyclopentyl-2-piperazin-1-ylethyl)-N-ethylmethanesulfonamide

C14H29N3O2S — CID 58786732

IUPACN-(2-cyclopentyl-2-piperazin-1-ylethyl)-N-ethylmethanesulfonamide
SMILESCCN(CC(C1CCCC1)N1CCNCC1)S(C)(=O)=O
InChIInChI=1S/C14H29N3O2S/c1-3-17(20(2,18)19)12-14(13-6-4-5-7-13)16-10-8-15-9-11-16/h13-15H,3-12H2,1-2H3
InChIKeyURVFLPYBZIHIPL-UHFFFAOYSA-N
MW303.47 g/mol
LogP0.73
Rot. Bonds6

About N-(2-cyclopentyl-2-piperazin-1-ylethyl)-N-ethylmethanesulfonamide

N-(2-cyclopentyl-2-piperazin-1-ylethyl)-N-ethylmethanesulfonamide (PubChem CID 58786732) has the molecular formula C14H29N3O2S and a molecular weight of 303.47 g/mol. Its IUPAC name is N-(2-cyclopentyl-2-piperazin-1-ylethyl)-N-ethylmethanesulfonamide.

Molecular Properties

Compound NameN-(2-cyclopentyl-2-piperazin-1-ylethyl)-N-ethylmethanesulfonamide
PubChem CID58786732
Molecular FormulaC14H29N3O2S
Molecular Weight303.47 g/mol
Exact Mass303.20
IUPAC NameN-(2-cyclopentyl-2-piperazin-1-ylethyl)-N-ethylmethanesulfonamide
SMILESCCN(CC(C1CCCC1)N1CCNCC1)S(C)(=O)=O
InChIInChI=1S/C14H29N3O2S/c1-3-17(20(2,18)19)12-14(13-6-4-5-7-13)16-10-8-15-9-11-16/h13-15H,3-12H2,1-2H3
InChIKeyURVFLPYBZIHIPL-UHFFFAOYSA-N
XLogP0.73
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentyl-2-piperazin-1-ylethyl)-N-ethylmethanesulfonamide?
The IUPAC name of N-(2-cyclopentyl-2-piperazin-1-ylethyl)-N-ethylmethanesulfonamide (CID 58786732) is N-(2-cyclopentyl-2-piperazin-1-ylethyl)-N-ethylmethanesulfonamide.
What is the SMILES notation for N-(2-cyclopentyl-2-piperazin-1-ylethyl)-N-ethylmethanesulfonamide?
The canonical SMILES for N-(2-cyclopentyl-2-piperazin-1-ylethyl)-N-ethylmethanesulfonamide is CCN(CC(C1CCCC1)N1CCNCC1)S(C)(=O)=O.
What is the InChIKey of N-(2-cyclopentyl-2-piperazin-1-ylethyl)-N-ethylmethanesulfonamide?
The InChIKey is URVFLPYBZIHIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2S/c1-3-17(20(2,18)19)12-14(13-6-4-5-7-13)16-10-8-15-9-11-16/h13-15H,3-12H2,1-2H3.
What are the key properties of N-(2-cyclopentyl-2-piperazin-1-ylethyl)-N-ethylmethanesulfonamide?
N-(2-cyclopentyl-2-piperazin-1-ylethyl)-N-ethylmethanesulfonamide has a molecular weight of 303.47 g/mol, XLogP of 0.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentyl-2-piperazin-1-ylethyl)-N-ethylmethanesulfonamide is sourced from PubChem (CID 58786732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).