2-hydroxy-2-(1-methylpiperidin-3-yl)ethanesulfonyl chloride

C8H16ClNO3S — CID 115044508

IUPAC2-hydroxy-2-(1-methylpiperidin-3-yl)ethanesulfonyl chloride
SMILESCN1CCCC(C(O)CS(=O)(=O)Cl)C1
InChIInChI=1S/C8H16ClNO3S/c1-10-4-2-3-7(5-10)8(11)6-14(9,12)13/h7-8,11H,2-6H2,1H3
InChIKeyVFPDEGHGTQNVIH-UHFFFAOYSA-N
MW241.74 g/mol
LogP0.26
Rot. Bonds3

About 2-hydroxy-2-(1-methylpiperidin-3-yl)ethanesulfonyl chloride

2-hydroxy-2-(1-methylpiperidin-3-yl)ethanesulfonyl chloride (PubChem CID 115044508) has the molecular formula C8H16ClNO3S and a molecular weight of 241.74 g/mol. Its IUPAC name is 2-hydroxy-2-(1-methylpiperidin-3-yl)ethanesulfonyl chloride.

Molecular Properties

Compound Name2-hydroxy-2-(1-methylpiperidin-3-yl)ethanesulfonyl chloride
PubChem CID115044508
Molecular FormulaC8H16ClNO3S
Molecular Weight241.74 g/mol
Exact Mass241.05
IUPAC Name2-hydroxy-2-(1-methylpiperidin-3-yl)ethanesulfonyl chloride
SMILESCN1CCCC(C(O)CS(=O)(=O)Cl)C1
InChIInChI=1S/C8H16ClNO3S/c1-10-4-2-3-7(5-10)8(11)6-14(9,12)13/h7-8,11H,2-6H2,1H3
InChIKeyVFPDEGHGTQNVIH-UHFFFAOYSA-N
XLogP0.26
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.74
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-hydroxy-2-(1-methylpiperidin-3-yl)ethanesulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-methylpiperidin-3-yl)-2-phosphonoethanesulfonic acid
CID 57146469
2-(1,1-dioxothian-4-yl)-2-hydroxyethanesulfonyl chloride
CID 115051117
2-(1-methylpiperidin-3-yl)-2-oxoethanesulfonyl chloride
CID 115043394
ethoxy-(1-methylpiperidin-3-yl)methanol
CID 90952315
2-hydroxy-2-(1-methylpiperidin-4-yl)ethanesulfonic acid
CID 115034054
3-[1-(1-methylpiperidin-3-yl)ethylamino]propane-1,2-diol
CID 66176759
(2S)-3-amino-2-[(3R)-1-methylpiperidin-3-yl]propanamide
CID 124668280
2-amino-2-methyl-1-(1-methylpiperidin-3-yl)propan-1-ol
CID 116836135
1-cyclopentyl-2-methylsulfonylethanol
CID 115601024
(Z)-4-(1-methylpiperidin-3-yl)but-2-ene-1-sulfonyl chloride
CID 117267784
3-chloro-2-methyl-N-(1-methylpiperidin-3-yl)propane-1-sulfonamide
CID 79585064
2-(1-methylpiperidin-3-yl)-2-piperidin-4-ylacetic acid
CID 116825117

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-(1-methylpiperidin-3-yl)ethanesulfonyl chloride?
The IUPAC name of 2-hydroxy-2-(1-methylpiperidin-3-yl)ethanesulfonyl chloride (CID 115044508) is 2-hydroxy-2-(1-methylpiperidin-3-yl)ethanesulfonyl chloride.
What is the SMILES notation for 2-hydroxy-2-(1-methylpiperidin-3-yl)ethanesulfonyl chloride?
The canonical SMILES for 2-hydroxy-2-(1-methylpiperidin-3-yl)ethanesulfonyl chloride is CN1CCCC(C(O)CS(=O)(=O)Cl)C1.
What is the InChIKey of 2-hydroxy-2-(1-methylpiperidin-3-yl)ethanesulfonyl chloride?
The InChIKey is VFPDEGHGTQNVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClNO3S/c1-10-4-2-3-7(5-10)8(11)6-14(9,12)13/h7-8,11H,2-6H2,1H3.
What are the key properties of 2-hydroxy-2-(1-methylpiperidin-3-yl)ethanesulfonyl chloride?
2-hydroxy-2-(1-methylpiperidin-3-yl)ethanesulfonyl chloride has a molecular weight of 241.74 g/mol, XLogP of 0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(1-methylpiperidin-3-yl)ethanesulfonyl chloride is sourced from PubChem (CID 115044508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).