4-[[benzenesulfonyl(methyl)amino]methyl]-4-hydroxypiperidine-1-carboxylic acid

C14H20N2O5S — CID 126527358

IUPAC4-[[benzenesulfonyl(methyl)amino]methyl]-4-hydroxypiperidine-1-carboxylic acid
SMILESCN(CC1(O)CCN(C(=O)O)CC1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H20N2O5S/c1-15(22(20,21)12-5-3-2-4-6-12)11-14(19)7-9-16(10-8-14)13(17)18/h2-6,19H,7-11H2,1H3,(H,17,18)
InChIKeyKGJMBFHUHUIQIU-UHFFFAOYSA-N
MW328.39 g/mol
LogP0.81
Rot. Bonds4

About 4-[[benzenesulfonyl(methyl)amino]methyl]-4-hydroxypiperidine-1-carboxylic acid

4-[[benzenesulfonyl(methyl)amino]methyl]-4-hydroxypiperidine-1-carboxylic acid (PubChem CID 126527358) has the molecular formula C14H20N2O5S and a molecular weight of 328.39 g/mol. Its IUPAC name is 4-[[benzenesulfonyl(methyl)amino]methyl]-4-hydroxypiperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[[benzenesulfonyl(methyl)amino]methyl]-4-hydroxypiperidine-1-carboxylic acid
PubChem CID126527358
Molecular FormulaC14H20N2O5S
Molecular Weight328.39 g/mol
Exact Mass328.11
IUPAC Name4-[[benzenesulfonyl(methyl)amino]methyl]-4-hydroxypiperidine-1-carboxylic acid
SMILESCN(CC1(O)CCN(C(=O)O)CC1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H20N2O5S/c1-15(22(20,21)12-5-3-2-4-6-12)11-14(19)7-9-16(10-8-14)13(17)18/h2-6,19H,7-11H2,1H3,(H,17,18)
InChIKeyKGJMBFHUHUIQIU-UHFFFAOYSA-N
XLogP0.81
TPSA98.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[2-(4-benzyl-4-hydroxypiperidin-1-yl)-2-oxoethoxy]ethyl]-N-methylbenzenesulfonamide
CID 25009614
4-bromo-N-[(1-hydroxycyclobutyl)methyl]-N-methylbenzenesulfonamide
CID 122141769
N-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-N-methylbenzenesulfonamide
CID 120810189
(3R)-1-[2-[benzenesulfonyl(methyl)amino]acetyl]-3-methylpyrrolidine-3-carboxamide
CID 124842008
(3R)-3-[benzenesulfonyl(ethyl)amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid
CID 126505839
4-hydroxy-4-[(2-hydroxyphenyl)methyl]piperidine-1-carboxylic acid
CID 175280270
N-methyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzenesulfonamide
CID 50946897
3-[(1-hydroxycyclopentyl)methyl-methylsulfamoyl]benzenecarbothioamide
CID 114949421
4-[(4-hydroxyoxan-4-yl)methyl-methylsulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 114948672
4-[[(2-bromo-3-phenylmethoxypropanoyl)-propan-2-ylamino]methyl]-4-hydroxypiperidine-1-carboxylic acid
CID 155025896
N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-N-methylbenzenesulfonamide;hydrochloride
CID 119372938
1-[2-[benzenesulfonyl(methyl)amino]acetyl]pyrrolidine-3-carboxylic acid
CID 119354063

Frequently Asked Questions

What is the IUPAC name of 4-[[benzenesulfonyl(methyl)amino]methyl]-4-hydroxypiperidine-1-carboxylic acid?
The IUPAC name of 4-[[benzenesulfonyl(methyl)amino]methyl]-4-hydroxypiperidine-1-carboxylic acid (CID 126527358) is 4-[[benzenesulfonyl(methyl)amino]methyl]-4-hydroxypiperidine-1-carboxylic acid.
What is the SMILES notation for 4-[[benzenesulfonyl(methyl)amino]methyl]-4-hydroxypiperidine-1-carboxylic acid?
The canonical SMILES for 4-[[benzenesulfonyl(methyl)amino]methyl]-4-hydroxypiperidine-1-carboxylic acid is CN(CC1(O)CCN(C(=O)O)CC1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 4-[[benzenesulfonyl(methyl)amino]methyl]-4-hydroxypiperidine-1-carboxylic acid?
The InChIKey is KGJMBFHUHUIQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5S/c1-15(22(20,21)12-5-3-2-4-6-12)11-14(19)7-9-16(10-8-14)13(17)18/h2-6,19H,7-11H2,1H3,(H,17,18).
What are the key properties of 4-[[benzenesulfonyl(methyl)amino]methyl]-4-hydroxypiperidine-1-carboxylic acid?
4-[[benzenesulfonyl(methyl)amino]methyl]-4-hydroxypiperidine-1-carboxylic acid has a molecular weight of 328.39 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[benzenesulfonyl(methyl)amino]methyl]-4-hydroxypiperidine-1-carboxylic acid is sourced from PubChem (CID 126527358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).