[1-[[4-(aminomethyl)phenyl]methylsulfonyl]piperidin-2-yl]methanol

C14H22N2O3S — CID 43579017

IUPAC[1-[[4-(aminomethyl)phenyl]methylsulfonyl]piperidin-2-yl]methanol
SMILESNCc1ccc(CS(=O)(=O)N2CCCCC2CO)cc1
InChIInChI=1S/C14H22N2O3S/c15-9-12-4-6-13(7-5-12)11-20(18,19)16-8-2-1-3-14(16)10-17/h4-7,14,17H,1-3,8-11,15H2
InChIKeyRYGWFLSXDMKGBT-UHFFFAOYSA-N
MW298.41 g/mol
LogP0.82
Rot. Bonds5

About [1-[[4-(aminomethyl)phenyl]methylsulfonyl]piperidin-2-yl]methanol

[1-[[4-(aminomethyl)phenyl]methylsulfonyl]piperidin-2-yl]methanol (PubChem CID 43579017) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is [1-[[4-(aminomethyl)phenyl]methylsulfonyl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[[4-(aminomethyl)phenyl]methylsulfonyl]piperidin-2-yl]methanol
PubChem CID43579017
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name[1-[[4-(aminomethyl)phenyl]methylsulfonyl]piperidin-2-yl]methanol
SMILESNCc1ccc(CS(=O)(=O)N2CCCCC2CO)cc1
InChIInChI=1S/C14H22N2O3S/c15-9-12-4-6-13(7-5-12)11-20(18,19)16-8-2-1-3-14(16)10-17/h4-7,14,17H,1-3,8-11,15H2
InChIKeyRYGWFLSXDMKGBT-UHFFFAOYSA-N
XLogP0.82
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(hydroxymethyl)piperidin-1-yl]sulfonylmethyl]benzenecarbothioamide
CID 61407453
[4-[(2-ethylpyrrolidin-1-yl)sulfonylmethyl]phenyl]methanamine
CID 54885835
[(2S)-1-(pyridin-4-ylmethylsulfonyl)piperidin-2-yl]methanamine
CID 97165454
[4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonylmethyl)phenyl]methanamine
CID 65319374
[1-[3-(aminomethyl)phenyl]sulfonylazepan-2-yl]methanol
CID 116634411
3-[1-[[3-(aminomethyl)phenyl]methylsulfonyl]pyrrolidin-2-yl]propan-1-ol
CID 62480272
[1-[(2-aminophenyl)methylsulfonyl]azepan-2-yl]methanol
CID 116633902
[1-[4-(aminomethyl)-2-methylphenyl]sulfonylpiperidin-2-yl]methanol
CID 106996722
[1-[(3,4-dichlorophenyl)methylsulfonyl]piperidin-2-yl]methanamine
CID 119969410
[(2R)-1-[(3-chloro-4-fluorophenyl)methylsulfonyl]pyrrolidin-2-yl]methanol
CID 109478282
3-amino-N-[[1-[(4-fluorophenyl)methylsulfonyl]piperidin-2-yl]methyl]propanamide
CID 120584541
3-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylmethyl]benzonitrile
CID 66260603

Frequently Asked Questions

What is the IUPAC name of [1-[[4-(aminomethyl)phenyl]methylsulfonyl]piperidin-2-yl]methanol?
The IUPAC name of [1-[[4-(aminomethyl)phenyl]methylsulfonyl]piperidin-2-yl]methanol (CID 43579017) is [1-[[4-(aminomethyl)phenyl]methylsulfonyl]piperidin-2-yl]methanol.
What is the SMILES notation for [1-[[4-(aminomethyl)phenyl]methylsulfonyl]piperidin-2-yl]methanol?
The canonical SMILES for [1-[[4-(aminomethyl)phenyl]methylsulfonyl]piperidin-2-yl]methanol is NCc1ccc(CS(=O)(=O)N2CCCCC2CO)cc1.
What is the InChIKey of [1-[[4-(aminomethyl)phenyl]methylsulfonyl]piperidin-2-yl]methanol?
The InChIKey is RYGWFLSXDMKGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c15-9-12-4-6-13(7-5-12)11-20(18,19)16-8-2-1-3-14(16)10-17/h4-7,14,17H,1-3,8-11,15H2.
What are the key properties of [1-[[4-(aminomethyl)phenyl]methylsulfonyl]piperidin-2-yl]methanol?
[1-[[4-(aminomethyl)phenyl]methylsulfonyl]piperidin-2-yl]methanol has a molecular weight of 298.41 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[4-(aminomethyl)phenyl]methylsulfonyl]piperidin-2-yl]methanol is sourced from PubChem (CID 43579017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).