2-[1-(2-aminoethylsulfonyl)piperidin-3-yl]ethanol

C9H20N2O3S — CID 107227327

IUPAC2-[1-(2-aminoethylsulfonyl)piperidin-3-yl]ethanol
SMILESNCCS(=O)(=O)N1CCCC(CCO)C1
InChIInChI=1S/C9H20N2O3S/c10-4-7-15(13,14)11-5-1-2-9(8-11)3-6-12/h9,12H,1-8,10H2
InChIKeyMVFHYMAWGJGRRE-UHFFFAOYSA-N
MW236.34 g/mol
LogP-0.63
Rot. Bonds5

About 2-[1-(2-aminoethylsulfonyl)piperidin-3-yl]ethanol

2-[1-(2-aminoethylsulfonyl)piperidin-3-yl]ethanol (PubChem CID 107227327) has the molecular formula C9H20N2O3S and a molecular weight of 236.34 g/mol. Its IUPAC name is 2-[1-(2-aminoethylsulfonyl)piperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-(2-aminoethylsulfonyl)piperidin-3-yl]ethanol
PubChem CID107227327
Molecular FormulaC9H20N2O3S
Molecular Weight236.34 g/mol
Exact Mass236.12
IUPAC Name2-[1-(2-aminoethylsulfonyl)piperidin-3-yl]ethanol
SMILESNCCS(=O)(=O)N1CCCC(CCO)C1
InChIInChI=1S/C9H20N2O3S/c10-4-7-15(13,14)11-5-1-2-9(8-11)3-6-12/h9,12H,1-8,10H2
InChIKeyMVFHYMAWGJGRRE-UHFFFAOYSA-N
XLogP-0.63
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(3-methoxypropylsulfonyl)piperidin-3-yl]ethanol
CID 63290285
2-[1-(2-chloroethylsulfonyl)pyrrolidin-3-yl]ethanol
CID 107652578
2-[1-[(3-aminophenyl)methylsulfonyl]piperidin-3-yl]ethanol
CID 107211950
2-[1-[4-(2-aminoethyl)phenyl]sulfonylpiperidin-3-yl]ethanol
CID 107227334
2-[1-(piperidin-2-ylmethylsulfonyl)piperidin-3-yl]ethanol
CID 107227893
3-(2-hydroxyethyl)pyrrolidine-1-sulfonamide
CID 115690733
3-(2-hydroxyethyl)-N-propan-2-ylpiperidine-1-sulfonamide
CID 115969767
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)ethanamine
CID 115559716
2-[1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidin-3-yl]ethanol
CID 62358298
3-[3-(methoxymethyl)piperidin-1-yl]sulfonylpropan-1-amine
CID 106586707
1-(2-aminoethylsulfonyl)pyrrolidin-3-ol
CID 62941538
(1-butylsulfonylpiperidin-3-yl)methanol
CID 43589616

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-aminoethylsulfonyl)piperidin-3-yl]ethanol?
The IUPAC name of 2-[1-(2-aminoethylsulfonyl)piperidin-3-yl]ethanol (CID 107227327) is 2-[1-(2-aminoethylsulfonyl)piperidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-(2-aminoethylsulfonyl)piperidin-3-yl]ethanol?
The canonical SMILES for 2-[1-(2-aminoethylsulfonyl)piperidin-3-yl]ethanol is NCCS(=O)(=O)N1CCCC(CCO)C1.
What is the InChIKey of 2-[1-(2-aminoethylsulfonyl)piperidin-3-yl]ethanol?
The InChIKey is MVFHYMAWGJGRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3S/c10-4-7-15(13,14)11-5-1-2-9(8-11)3-6-12/h9,12H,1-8,10H2.
What are the key properties of 2-[1-(2-aminoethylsulfonyl)piperidin-3-yl]ethanol?
2-[1-(2-aminoethylsulfonyl)piperidin-3-yl]ethanol has a molecular weight of 236.34 g/mol, XLogP of -0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-aminoethylsulfonyl)piperidin-3-yl]ethanol is sourced from PubChem (CID 107227327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).