N-methyl-N-[(2R)-1-[2-(4-methylpiperazin-1-yl)phenoxy]propan-2-yl]methanesulfonamide

C16H27N3O3S — CID 58817340

IUPACN-methyl-N-[(2R)-1-[2-(4-methylpiperazin-1-yl)phenoxy]propan-2-yl]methanesulfonamide
SMILESC[C@H](COc1ccccc1N1CCN(C)CC1)N(C)S(C)(=O)=O
InChIInChI=1S/C16H27N3O3S/c1-14(18(3)23(4,20)21)13-22-16-8-6-5-7-15(16)19-11-9-17(2)10-12-19/h5-8,14H,9-13H2,1-4H3/t14-/m1/s1
InChIKeyKLLLRUMYLQTWNZ-CQSZACIVSA-N
MW341.48 g/mol
LogP1.10
Rot. Bonds6

About N-methyl-N-[(2R)-1-[2-(4-methylpiperazin-1-yl)phenoxy]propan-2-yl]methanesulfonamide

N-methyl-N-[(2R)-1-[2-(4-methylpiperazin-1-yl)phenoxy]propan-2-yl]methanesulfonamide (PubChem CID 58817340) has the molecular formula C16H27N3O3S and a molecular weight of 341.48 g/mol. Its IUPAC name is N-methyl-N-[(2R)-1-[2-(4-methylpiperazin-1-yl)phenoxy]propan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[(2R)-1-[2-(4-methylpiperazin-1-yl)phenoxy]propan-2-yl]methanesulfonamide
PubChem CID58817340
Molecular FormulaC16H27N3O3S
Molecular Weight341.48 g/mol
Exact Mass341.18
IUPAC NameN-methyl-N-[(2R)-1-[2-(4-methylpiperazin-1-yl)phenoxy]propan-2-yl]methanesulfonamide
SMILESC[C@H](COc1ccccc1N1CCN(C)CC1)N(C)S(C)(=O)=O
InChIInChI=1S/C16H27N3O3S/c1-14(18(3)23(4,20)21)13-22-16-8-6-5-7-15(16)19-11-9-17(2)10-12-19/h5-8,14H,9-13H2,1-4H3/t14-/m1/s1
InChIKeyKLLLRUMYLQTWNZ-CQSZACIVSA-N
XLogP1.10
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-1-[2-(4-methylpiperazin-1-yl)phenoxy]propan-2-yl]methanesulfonamide
CID 58817392
N-ethyl-N-[(2R)-1-(2-piperazin-1-ylphenoxy)propan-2-yl]methanesulfonamide
CID 18436788
(2R)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-methylsulfonylpropan-1-one
CID 95133049
1-methyl-4-(2-phenylmethoxyphenyl)piperazine
CID 58996693
2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 78815634
4-[2-[2-(methanesulfonamido)propoxy]phenyl]piperazine-1-carboxylic acid
CID 18436761
1-methyl-4-[2-(2-pyrrolidin-1-ylethoxy)phenyl]piperazine
CID 58817389
(2R)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]propanamide
CID 8691494
1-methyl-4-[2-[(1-methylimidazol-2-yl)methoxy]phenyl]piperazine
CID 58996743
1-[2-(1-ethylsulfonylpiperidin-3-yl)oxyphenyl]-4-methylpiperazine
CID 58817416
1-methyl-4-[2-(trifluoromethoxy)phenyl]piperazine
CID 167238583
N-(4-ethoxyphenyl)-N-[1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]methanesulfonamide
CID 2912073

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2R)-1-[2-(4-methylpiperazin-1-yl)phenoxy]propan-2-yl]methanesulfonamide?
The IUPAC name of N-methyl-N-[(2R)-1-[2-(4-methylpiperazin-1-yl)phenoxy]propan-2-yl]methanesulfonamide (CID 58817340) is N-methyl-N-[(2R)-1-[2-(4-methylpiperazin-1-yl)phenoxy]propan-2-yl]methanesulfonamide.
What is the SMILES notation for N-methyl-N-[(2R)-1-[2-(4-methylpiperazin-1-yl)phenoxy]propan-2-yl]methanesulfonamide?
The canonical SMILES for N-methyl-N-[(2R)-1-[2-(4-methylpiperazin-1-yl)phenoxy]propan-2-yl]methanesulfonamide is C[C@H](COc1ccccc1N1CCN(C)CC1)N(C)S(C)(=O)=O.
What is the InChIKey of N-methyl-N-[(2R)-1-[2-(4-methylpiperazin-1-yl)phenoxy]propan-2-yl]methanesulfonamide?
The InChIKey is KLLLRUMYLQTWNZ-CQSZACIVSA-N. The full InChI is InChI=1S/C16H27N3O3S/c1-14(18(3)23(4,20)21)13-22-16-8-6-5-7-15(16)19-11-9-17(2)10-12-19/h5-8,14H,9-13H2,1-4H3/t14-/m1/s1.
What are the key properties of N-methyl-N-[(2R)-1-[2-(4-methylpiperazin-1-yl)phenoxy]propan-2-yl]methanesulfonamide?
N-methyl-N-[(2R)-1-[2-(4-methylpiperazin-1-yl)phenoxy]propan-2-yl]methanesulfonamide has a molecular weight of 341.48 g/mol, XLogP of 1.10, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2R)-1-[2-(4-methylpiperazin-1-yl)phenoxy]propan-2-yl]methanesulfonamide is sourced from PubChem (CID 58817340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).