(1S)-N-[[(2S)-piperidin-2-yl]methyl]-1-pyridin-2-ylethanesulfonamide

C13H21N3O2S — CID 97162061

IUPAC(1S)-N-[[(2S)-piperidin-2-yl]methyl]-1-pyridin-2-ylethanesulfonamide
SMILESC[C@@H](c1ccccn1)S(=O)(=O)NC[C@@H]1CCCCN1
InChIInChI=1S/C13H21N3O2S/c1-11(13-7-3-5-9-15-13)19(17,18)16-10-12-6-2-4-8-14-12/h3,5,7,9,11-12,14,16H,2,4,6,8,10H2,1H3/t11-,12-/m0/s1
InChIKeyWKOTWOSRWMISTG-RYUDHWBXSA-N
MW283.40 g/mol
LogP1.20
Rot. Bonds5

About (1S)-N-[[(2S)-piperidin-2-yl]methyl]-1-pyridin-2-ylethanesulfonamide

(1S)-N-[[(2S)-piperidin-2-yl]methyl]-1-pyridin-2-ylethanesulfonamide (PubChem CID 97162061) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is (1S)-N-[[(2S)-piperidin-2-yl]methyl]-1-pyridin-2-ylethanesulfonamide.

Molecular Properties

Compound Name(1S)-N-[[(2S)-piperidin-2-yl]methyl]-1-pyridin-2-ylethanesulfonamide
PubChem CID97162061
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name(1S)-N-[[(2S)-piperidin-2-yl]methyl]-1-pyridin-2-ylethanesulfonamide
SMILESC[C@@H](c1ccccn1)S(=O)(=O)NC[C@@H]1CCCCN1
InChIInChI=1S/C13H21N3O2S/c1-11(13-7-3-5-9-15-13)19(17,18)16-10-12-6-2-4-8-14-12/h3,5,7,9,11-12,14,16H,2,4,6,8,10H2,1H3/t11-,12-/m0/s1
InChIKeyWKOTWOSRWMISTG-RYUDHWBXSA-N
XLogP1.20
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-N-[[(2S)-piperidin-2-yl]methyl]-1-pyrazin-2-ylethanesulfonamide
CID 97162101
N-(piperidin-3-ylmethyl)-1-pyridin-2-ylethanesulfonamide;hydrochloride
CID 71637453
N-(pyrrolidin-2-ylmethyl)pyridine-2-sulfonamide;hydrochloride
CID 66570297
1-piperidin-2-yl-N-[(1R)-1-pyridin-2-ylethyl]propan-2-amine
CID 81401502
1-piperidin-2-yl-N-[(1S)-1-pyridin-2-ylethyl]propan-2-amine
CID 81402179
2-(1-pyrrolidin-2-ylpropan-2-yl)pyridine
CID 83907313
(1S)-1-pyridin-2-yl-N-[(3R)-pyrrolidin-3-yl]ethanesulfonamide
CID 97162039
2-[(1R)-1-[[(2S)-pyrrolidin-2-yl]methoxy]ethyl]pyridine
CID 97162432
(1S)-N-methyl-1-pyridin-2-ylethanesulfonamide
CID 97167945
N-(piperidin-2-ylmethyl)-N-(1-pyridin-2-ylethyl)propan-1-amine
CID 106623353
N-(piperidin-2-ylmethylsulfamoyl)propan-2-amine
CID 114807413
N-(piperidin-2-ylmethyl)-1-pyrazin-2-ylethanamine
CID 71637820

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[[(2S)-piperidin-2-yl]methyl]-1-pyridin-2-ylethanesulfonamide?
The IUPAC name of (1S)-N-[[(2S)-piperidin-2-yl]methyl]-1-pyridin-2-ylethanesulfonamide (CID 97162061) is (1S)-N-[[(2S)-piperidin-2-yl]methyl]-1-pyridin-2-ylethanesulfonamide.
What is the SMILES notation for (1S)-N-[[(2S)-piperidin-2-yl]methyl]-1-pyridin-2-ylethanesulfonamide?
The canonical SMILES for (1S)-N-[[(2S)-piperidin-2-yl]methyl]-1-pyridin-2-ylethanesulfonamide is C[C@@H](c1ccccn1)S(=O)(=O)NC[C@@H]1CCCCN1.
What is the InChIKey of (1S)-N-[[(2S)-piperidin-2-yl]methyl]-1-pyridin-2-ylethanesulfonamide?
The InChIKey is WKOTWOSRWMISTG-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-11(13-7-3-5-9-15-13)19(17,18)16-10-12-6-2-4-8-14-12/h3,5,7,9,11-12,14,16H,2,4,6,8,10H2,1H3/t11-,12-/m0/s1.
What are the key properties of (1S)-N-[[(2S)-piperidin-2-yl]methyl]-1-pyridin-2-ylethanesulfonamide?
(1S)-N-[[(2S)-piperidin-2-yl]methyl]-1-pyridin-2-ylethanesulfonamide has a molecular weight of 283.40 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[[(2S)-piperidin-2-yl]methyl]-1-pyridin-2-ylethanesulfonamide is sourced from PubChem (CID 97162061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).