N-ethyl-N-[(2R)-1-(2-piperazin-1-ylphenoxy)propan-2-yl]methanesulfonamide

C16H27N3O3S — CID 18436788

IUPACN-ethyl-N-[(2R)-1-(2-piperazin-1-ylphenoxy)propan-2-yl]methanesulfonamide
SMILESCCN([C@H](C)COc1ccccc1N1CCNCC1)S(C)(=O)=O
InChIInChI=1S/C16H27N3O3S/c1-4-19(23(3,20)21)14(2)13-22-16-8-6-5-7-15(16)18-11-9-17-10-12-18/h5-8,14,17H,4,9-13H2,1-3H3/t14-/m1/s1
InChIKeyVECUAWHGZUHGHJ-CQSZACIVSA-N
MW341.48 g/mol
LogP1.14
Rot. Bonds7

About N-ethyl-N-[(2R)-1-(2-piperazin-1-ylphenoxy)propan-2-yl]methanesulfonamide

N-ethyl-N-[(2R)-1-(2-piperazin-1-ylphenoxy)propan-2-yl]methanesulfonamide (PubChem CID 18436788) has the molecular formula C16H27N3O3S and a molecular weight of 341.48 g/mol. Its IUPAC name is N-ethyl-N-[(2R)-1-(2-piperazin-1-ylphenoxy)propan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-[(2R)-1-(2-piperazin-1-ylphenoxy)propan-2-yl]methanesulfonamide
PubChem CID18436788
Molecular FormulaC16H27N3O3S
Molecular Weight341.48 g/mol
Exact Mass341.18
IUPAC NameN-ethyl-N-[(2R)-1-(2-piperazin-1-ylphenoxy)propan-2-yl]methanesulfonamide
SMILESCCN([C@H](C)COc1ccccc1N1CCNCC1)S(C)(=O)=O
InChIInChI=1S/C16H27N3O3S/c1-4-19(23(3,20)21)14(2)13-22-16-8-6-5-7-15(16)18-11-9-17-10-12-18/h5-8,14,17H,4,9-13H2,1-3H3/t14-/m1/s1
InChIKeyVECUAWHGZUHGHJ-CQSZACIVSA-N
XLogP1.14
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(2R)-1-(2-piperazin-1-ylphenoxy)propan-2-yl]methanesulfonamide?
The IUPAC name of N-ethyl-N-[(2R)-1-(2-piperazin-1-ylphenoxy)propan-2-yl]methanesulfonamide (CID 18436788) is N-ethyl-N-[(2R)-1-(2-piperazin-1-ylphenoxy)propan-2-yl]methanesulfonamide.
What is the SMILES notation for N-ethyl-N-[(2R)-1-(2-piperazin-1-ylphenoxy)propan-2-yl]methanesulfonamide?
The canonical SMILES for N-ethyl-N-[(2R)-1-(2-piperazin-1-ylphenoxy)propan-2-yl]methanesulfonamide is CCN([C@H](C)COc1ccccc1N1CCNCC1)S(C)(=O)=O.
What is the InChIKey of N-ethyl-N-[(2R)-1-(2-piperazin-1-ylphenoxy)propan-2-yl]methanesulfonamide?
The InChIKey is VECUAWHGZUHGHJ-CQSZACIVSA-N. The full InChI is InChI=1S/C16H27N3O3S/c1-4-19(23(3,20)21)14(2)13-22-16-8-6-5-7-15(16)18-11-9-17-10-12-18/h5-8,14,17H,4,9-13H2,1-3H3/t14-/m1/s1.
What are the key properties of N-ethyl-N-[(2R)-1-(2-piperazin-1-ylphenoxy)propan-2-yl]methanesulfonamide?
N-ethyl-N-[(2R)-1-(2-piperazin-1-ylphenoxy)propan-2-yl]methanesulfonamide has a molecular weight of 341.48 g/mol, XLogP of 1.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(2R)-1-(2-piperazin-1-ylphenoxy)propan-2-yl]methanesulfonamide is sourced from PubChem (CID 18436788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).