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

C15H25N3O3S — CID 58817392

IUPACN-[(2R)-1-[2-(4-methylpiperazin-1-yl)phenoxy]propan-2-yl]methanesulfonamide
SMILESC[C@H](COc1ccccc1N1CCN(C)CC1)NS(C)(=O)=O
InChIInChI=1S/C15H25N3O3S/c1-13(16-22(3,19)20)12-21-15-7-5-4-6-14(15)18-10-8-17(2)9-11-18/h4-7,13,16H,8-12H2,1-3H3/t13-/m1/s1
InChIKeyYUOWYNKPUFAQPP-CYBMUJFWSA-N
MW327.45 g/mol
LogP0.75
Rot. Bonds6

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

N-[(2R)-1-[2-(4-methylpiperazin-1-yl)phenoxy]propan-2-yl]methanesulfonamide (PubChem CID 58817392) has the molecular formula C15H25N3O3S and a molecular weight of 327.45 g/mol. Its IUPAC name is N-[(2R)-1-[2-(4-methylpiperazin-1-yl)phenoxy]propan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(2R)-1-[2-(4-methylpiperazin-1-yl)phenoxy]propan-2-yl]methanesulfonamide
PubChem CID58817392
Molecular FormulaC15H25N3O3S
Molecular Weight327.45 g/mol
Exact Mass327.16
IUPAC NameN-[(2R)-1-[2-(4-methylpiperazin-1-yl)phenoxy]propan-2-yl]methanesulfonamide
SMILESC[C@H](COc1ccccc1N1CCN(C)CC1)NS(C)(=O)=O
InChIInChI=1S/C15H25N3O3S/c1-13(16-22(3,19)20)12-21-15-7-5-4-6-14(15)18-10-8-17(2)9-11-18/h4-7,13,16H,8-12H2,1-3H3/t13-/m1/s1
InChIKeyYUOWYNKPUFAQPP-CYBMUJFWSA-N
XLogP0.75
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-[2-(methanesulfonamido)propoxy]phenyl]piperazine-1-carboxylic acid
CID 18436761
N-methyl-N-[(2R)-1-[2-(4-methylpiperazin-1-yl)phenoxy]propan-2-yl]methanesulfonamide
CID 58817340
N-[1-(2-methoxyphenoxy)propan-2-yl]methanesulfonamide
CID 56921687
N-[(2R)-1-phenoxypropan-2-yl]methanesulfonamide
CID 94192811
1-methyl-4-(2-phenylmethoxyphenyl)piperazine
CID 58996693
1-methyl-4-[2-(2-pyrrolidin-1-ylethoxy)phenyl]piperazine
CID 58817389
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-[(1-methylimidazol-2-yl)methoxy]phenyl]piperazine
CID 58996743
N-[(2S)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-2-fluorobenzenesulfonamide
CID 24538543
1-methyl-4-[2-(trifluoromethoxy)phenyl]piperazine
CID 167238583
tert-butyl 4-[2-[2-(methanesulfonamido)-2-methylpropoxy]phenyl]piperazine-1-carboxylate
CID 18436785

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[2-(4-methylpiperazin-1-yl)phenoxy]propan-2-yl]methanesulfonamide?
The IUPAC name of N-[(2R)-1-[2-(4-methylpiperazin-1-yl)phenoxy]propan-2-yl]methanesulfonamide (CID 58817392) is N-[(2R)-1-[2-(4-methylpiperazin-1-yl)phenoxy]propan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[(2R)-1-[2-(4-methylpiperazin-1-yl)phenoxy]propan-2-yl]methanesulfonamide?
The canonical SMILES for N-[(2R)-1-[2-(4-methylpiperazin-1-yl)phenoxy]propan-2-yl]methanesulfonamide is C[C@H](COc1ccccc1N1CCN(C)CC1)NS(C)(=O)=O.
What is the InChIKey of N-[(2R)-1-[2-(4-methylpiperazin-1-yl)phenoxy]propan-2-yl]methanesulfonamide?
The InChIKey is YUOWYNKPUFAQPP-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H25N3O3S/c1-13(16-22(3,19)20)12-21-15-7-5-4-6-14(15)18-10-8-17(2)9-11-18/h4-7,13,16H,8-12H2,1-3H3/t13-/m1/s1.
What are the key properties of N-[(2R)-1-[2-(4-methylpiperazin-1-yl)phenoxy]propan-2-yl]methanesulfonamide?
N-[(2R)-1-[2-(4-methylpiperazin-1-yl)phenoxy]propan-2-yl]methanesulfonamide has a molecular weight of 327.45 g/mol, XLogP of 0.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[2-(4-methylpiperazin-1-yl)phenoxy]propan-2-yl]methanesulfonamide is sourced from PubChem (CID 58817392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).