N-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]ethanesulfonamide

C13H21N3O3S — CID 45195675

IUPACN-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCc1cccnc1N1CCCC(O)C1
InChIInChI=1S/C13H21N3O3S/c1-2-20(18,19)15-9-11-5-3-7-14-13(11)16-8-4-6-12(17)10-16/h3,5,7,12,15,17H,2,4,6,8-10H2,1H3
InChIKeyIVWHHCNGZFLWEK-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.48
Rot. Bonds5

About N-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]ethanesulfonamide

N-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]ethanesulfonamide (PubChem CID 45195675) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is N-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]ethanesulfonamide
PubChem CID45195675
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC NameN-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCc1cccnc1N1CCCC(O)C1
InChIInChI=1S/C13H21N3O3S/c1-2-20(18,19)15-9-11-5-3-7-14-13(11)16-8-4-6-12(17)10-16/h3,5,7,12,15,17H,2,4,6,8-10H2,1H3
InChIKeyIVWHHCNGZFLWEK-UHFFFAOYSA-N
XLogP0.48
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-diethyl-6-[4-(2-hydroxyethyl)-1-piperazinyl]-3-pyridinesulfonamide
CID 901301
N-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methyl]methanesulfonamide
CID 45817907
2-methylsulfonyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]propanamide
CID 45827603
N-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]propane-1-sulfonamide
CID 45881043
1-(2-Hydroxyethyl)-3-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]urea
CID 53504679
N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-methylpentane-1-sulfonamide
CID 56789886
3-Methyl-1-(1-{5-[(methylthio)methyl]-2-pyridinyl}-4-piperidinyl)-1-butanol
CID 70748400
1-(4-Methylpiperidin-1-yl)-3-(pyridin-2-ylamino)propan-2-ol
CID 71976610
4-ethylsulfonyl-1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine
CID 97383582
4-cyclopropylsulfonyl-1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine
CID 97383583
9-Propylsulfonyl-4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane
CID 97450954
4-Ethylsulfonyl-8-pyridin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 118743534

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]ethanesulfonamide?
The IUPAC name of N-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]ethanesulfonamide (CID 45195675) is N-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]ethanesulfonamide.
What is the SMILES notation for N-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]ethanesulfonamide?
The canonical SMILES for N-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]ethanesulfonamide is CCS(=O)(=O)NCc1cccnc1N1CCCC(O)C1.
What is the InChIKey of N-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]ethanesulfonamide?
The InChIKey is IVWHHCNGZFLWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-2-20(18,19)15-9-11-5-3-7-14-13(11)16-8-4-6-12(17)10-16/h3,5,7,12,15,17H,2,4,6,8-10H2,1H3.
What are the key properties of N-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]ethanesulfonamide?
N-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]ethanesulfonamide has a molecular weight of 299.40 g/mol, XLogP of 0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]ethanesulfonamide is sourced from PubChem (CID 45195675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).