4-[2-[2-(methanesulfonamido)propoxy]phenyl]piperazine-1-carboxylic acid

C15H23N3O5S — CID 18436761

IUPAC4-[2-[2-(methanesulfonamido)propoxy]phenyl]piperazine-1-carboxylic acid
SMILESCC(COc1ccccc1N1CCN(C(=O)O)CC1)NS(C)(=O)=O
InChIInChI=1S/C15H23N3O5S/c1-12(16-24(2,21)22)11-23-14-6-4-3-5-13(14)17-7-9-18(10-8-17)15(19)20/h3-6,12,16H,7-11H2,1-2H3,(H,19,20)
InChIKeyWSNQRLDWBKMNRI-UHFFFAOYSA-N
MW357.43 g/mol
LogP0.80
Rot. Bonds6

About 4-[2-[2-(methanesulfonamido)propoxy]phenyl]piperazine-1-carboxylic acid

4-[2-[2-(methanesulfonamido)propoxy]phenyl]piperazine-1-carboxylic acid (PubChem CID 18436761) has the molecular formula C15H23N3O5S and a molecular weight of 357.43 g/mol. Its IUPAC name is 4-[2-[2-(methanesulfonamido)propoxy]phenyl]piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-[2-[2-(methanesulfonamido)propoxy]phenyl]piperazine-1-carboxylic acid
PubChem CID18436761
Molecular FormulaC15H23N3O5S
Molecular Weight357.43 g/mol
Exact Mass357.14
IUPAC Name4-[2-[2-(methanesulfonamido)propoxy]phenyl]piperazine-1-carboxylic acid
SMILESCC(COc1ccccc1N1CCN(C(=O)O)CC1)NS(C)(=O)=O
InChIInChI=1S/C15H23N3O5S/c1-12(16-24(2,21)22)11-23-14-6-4-3-5-13(14)17-7-9-18(10-8-17)15(19)20/h3-6,12,16H,7-11H2,1-2H3,(H,19,20)
InChIKeyWSNQRLDWBKMNRI-UHFFFAOYSA-N
XLogP0.80
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 50.80
H-Bond Donors ≤ 52
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
(2R)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-methylsulfonylpropan-1-one
CID 95133049
N-[1-(2-methoxyphenoxy)propan-2-yl]methanesulfonamide
CID 56921687
N-[(2R)-1-phenoxypropan-2-yl]methanesulfonamide
CID 94192811
4-(2-phenoxyphenyl)piperazine-1-carboxylic acid
CID 69365600
N-[(2S)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-2-fluorobenzenesulfonamide
CID 24538543
4-[2-(4-ethoxy-4-oxobutoxy)phenyl]piperazine-1-carboxylic acid
CID 67053278
tert-butyl 4-[2-[2-(methanesulfonamido)-2-methylpropoxy]phenyl]piperazine-1-carboxylate
CID 18436785
4-[4-(2-ethoxyphenyl)piperazin-1-yl]-4-oxobutanoic acid
CID 4605707
N-methyl-N-[(2R)-1-[2-(4-methylpiperazin-1-yl)phenoxy]propan-2-yl]methanesulfonamide
CID 58817340
6-[2-(2-hydroxypropoxy)phenoxy]-1-(4-phenylpiperazin-1-yl)hexan-1-one;N-propan-2-ylmethanesulfonamide
CID 20535147
2-(butan-2-ylamino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 108993359

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(methanesulfonamido)propoxy]phenyl]piperazine-1-carboxylic acid?
The IUPAC name of 4-[2-[2-(methanesulfonamido)propoxy]phenyl]piperazine-1-carboxylic acid (CID 18436761) is 4-[2-[2-(methanesulfonamido)propoxy]phenyl]piperazine-1-carboxylic acid.
What is the SMILES notation for 4-[2-[2-(methanesulfonamido)propoxy]phenyl]piperazine-1-carboxylic acid?
The canonical SMILES for 4-[2-[2-(methanesulfonamido)propoxy]phenyl]piperazine-1-carboxylic acid is CC(COc1ccccc1N1CCN(C(=O)O)CC1)NS(C)(=O)=O.
What is the InChIKey of 4-[2-[2-(methanesulfonamido)propoxy]phenyl]piperazine-1-carboxylic acid?
The InChIKey is WSNQRLDWBKMNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O5S/c1-12(16-24(2,21)22)11-23-14-6-4-3-5-13(14)17-7-9-18(10-8-17)15(19)20/h3-6,12,16H,7-11H2,1-2H3,(H,19,20).
What are the key properties of 4-[2-[2-(methanesulfonamido)propoxy]phenyl]piperazine-1-carboxylic acid?
4-[2-[2-(methanesulfonamido)propoxy]phenyl]piperazine-1-carboxylic acid has a molecular weight of 357.43 g/mol, XLogP of 0.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(methanesulfonamido)propoxy]phenyl]piperazine-1-carboxylic acid is sourced from PubChem (CID 18436761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).