N-(3-cyclohexyl-2-piperazin-1-ylpropyl)-N-ethylmethanesulfonamide

C16H33N3O2S — CID 58786683

IUPACN-(3-cyclohexyl-2-piperazin-1-ylpropyl)-N-ethylmethanesulfonamide
SMILESCCN(CC(CC1CCCCC1)N1CCNCC1)S(C)(=O)=O
InChIInChI=1S/C16H33N3O2S/c1-3-19(22(2,20)21)14-16(18-11-9-17-10-12-18)13-15-7-5-4-6-8-15/h15-17H,3-14H2,1-2H3
InChIKeyKWOSYKWLOAEPTO-UHFFFAOYSA-N
MW331.53 g/mol
LogP1.51
Rot. Bonds7

About N-(3-cyclohexyl-2-piperazin-1-ylpropyl)-N-ethylmethanesulfonamide

N-(3-cyclohexyl-2-piperazin-1-ylpropyl)-N-ethylmethanesulfonamide (PubChem CID 58786683) has the molecular formula C16H33N3O2S and a molecular weight of 331.53 g/mol. Its IUPAC name is N-(3-cyclohexyl-2-piperazin-1-ylpropyl)-N-ethylmethanesulfonamide.

Molecular Properties

Compound NameN-(3-cyclohexyl-2-piperazin-1-ylpropyl)-N-ethylmethanesulfonamide
PubChem CID58786683
Molecular FormulaC16H33N3O2S
Molecular Weight331.53 g/mol
Exact Mass331.23
IUPAC NameN-(3-cyclohexyl-2-piperazin-1-ylpropyl)-N-ethylmethanesulfonamide
SMILESCCN(CC(CC1CCCCC1)N1CCNCC1)S(C)(=O)=O
InChIInChI=1S/C16H33N3O2S/c1-3-19(22(2,20)21)14-16(18-11-9-17-10-12-18)13-15-7-5-4-6-8-15/h15-17H,3-14H2,1-2H3
InChIKeyKWOSYKWLOAEPTO-UHFFFAOYSA-N
XLogP1.51
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.53
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexyl-2-piperazin-1-ylpropyl)-N-ethylmethanesulfonamide?
The IUPAC name of N-(3-cyclohexyl-2-piperazin-1-ylpropyl)-N-ethylmethanesulfonamide (CID 58786683) is N-(3-cyclohexyl-2-piperazin-1-ylpropyl)-N-ethylmethanesulfonamide.
What is the SMILES notation for N-(3-cyclohexyl-2-piperazin-1-ylpropyl)-N-ethylmethanesulfonamide?
The canonical SMILES for N-(3-cyclohexyl-2-piperazin-1-ylpropyl)-N-ethylmethanesulfonamide is CCN(CC(CC1CCCCC1)N1CCNCC1)S(C)(=O)=O.
What is the InChIKey of N-(3-cyclohexyl-2-piperazin-1-ylpropyl)-N-ethylmethanesulfonamide?
The InChIKey is KWOSYKWLOAEPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O2S/c1-3-19(22(2,20)21)14-16(18-11-9-17-10-12-18)13-15-7-5-4-6-8-15/h15-17H,3-14H2,1-2H3.
What are the key properties of N-(3-cyclohexyl-2-piperazin-1-ylpropyl)-N-ethylmethanesulfonamide?
N-(3-cyclohexyl-2-piperazin-1-ylpropyl)-N-ethylmethanesulfonamide has a molecular weight of 331.53 g/mol, XLogP of 1.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexyl-2-piperazin-1-ylpropyl)-N-ethylmethanesulfonamide is sourced from PubChem (CID 58786683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).