2-[4-[[2-(aminomethyl)phenyl]methylsulfonyl]piperazin-1-yl]ethanol

C14H23N3O3S — CID 43579023

IUPAC2-[4-[[2-(aminomethyl)phenyl]methylsulfonyl]piperazin-1-yl]ethanol
SMILESNCc1ccccc1CS(=O)(=O)N1CCN(CCO)CC1
InChIInChI=1S/C14H23N3O3S/c15-11-13-3-1-2-4-14(13)12-21(19,20)17-7-5-16(6-8-17)9-10-18/h1-4,18H,5-12,15H2
InChIKeyUDMFJCIWPYLXLO-UHFFFAOYSA-N
MW313.42 g/mol
LogP-0.41
Rot. Bonds6

About 2-[4-[[2-(aminomethyl)phenyl]methylsulfonyl]piperazin-1-yl]ethanol

2-[4-[[2-(aminomethyl)phenyl]methylsulfonyl]piperazin-1-yl]ethanol (PubChem CID 43579023) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 2-[4-[[2-(aminomethyl)phenyl]methylsulfonyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[2-(aminomethyl)phenyl]methylsulfonyl]piperazin-1-yl]ethanol
PubChem CID43579023
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name2-[4-[[2-(aminomethyl)phenyl]methylsulfonyl]piperazin-1-yl]ethanol
SMILESNCc1ccccc1CS(=O)(=O)N1CCN(CCO)CC1
InChIInChI=1S/C14H23N3O3S/c15-11-13-3-1-2-4-14(13)12-21(19,20)17-7-5-16(6-8-17)9-10-18/h1-4,18H,5-12,15H2
InChIKeyUDMFJCIWPYLXLO-UHFFFAOYSA-N
XLogP-0.41
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(4,4-dimethylpiperidin-1-yl)sulfonylmethyl]phenyl]methanamine
CID 62937783
[2-[(4-methylpiperidin-1-yl)sulfonylmethyl]phenyl]methanamine;hydrochloride
CID 71757298
2-(4-benzylsulfonylpiperazin-1-yl)ethanamine
CID 43252222
2-[4-[3-(aminomethyl)-4-fluorophenyl]sulfonylpiperazin-1-yl]ethanol
CID 63288121
[2-[(3,4-dimethoxypyrrolidin-1-yl)sulfonylmethyl]phenyl]methanamine
CID 103532632
2-[4-[(4-fluorophenyl)methylsulfonyl]-1,4-diazepan-1-yl]ethanol
CID 63310011
2-[4-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperazin-1-yl]ethanol
CID 43501424
1-[(2-methylphenyl)methyl]-4-[(2-methylphenyl)methylsulfonyl]piperazine
CID 110398861
1-[2-(aminomethyl)phenyl]-N-(3-pyrrolidin-1-ylpropyl)methanesulfonamide
CID 62992288
2-[[4-(cyclopropylmethyl)piperazin-1-yl]sulfonylmethyl]aniline
CID 62019983
1-(2,2-dimethylpropyl)-4-[(2-methylphenyl)methylsulfonyl]piperazine
CID 110290772
2-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonylbenzonitrile
CID 4846784

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(aminomethyl)phenyl]methylsulfonyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[[2-(aminomethyl)phenyl]methylsulfonyl]piperazin-1-yl]ethanol (CID 43579023) is 2-[4-[[2-(aminomethyl)phenyl]methylsulfonyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[2-(aminomethyl)phenyl]methylsulfonyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[[2-(aminomethyl)phenyl]methylsulfonyl]piperazin-1-yl]ethanol is NCc1ccccc1CS(=O)(=O)N1CCN(CCO)CC1.
What is the InChIKey of 2-[4-[[2-(aminomethyl)phenyl]methylsulfonyl]piperazin-1-yl]ethanol?
The InChIKey is UDMFJCIWPYLXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c15-11-13-3-1-2-4-14(13)12-21(19,20)17-7-5-16(6-8-17)9-10-18/h1-4,18H,5-12,15H2.
What are the key properties of 2-[4-[[2-(aminomethyl)phenyl]methylsulfonyl]piperazin-1-yl]ethanol?
2-[4-[[2-(aminomethyl)phenyl]methylsulfonyl]piperazin-1-yl]ethanol has a molecular weight of 313.42 g/mol, XLogP of -0.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(aminomethyl)phenyl]methylsulfonyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 43579023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).