N-[(1R,2R)-2-aminocyclohexyl]-2-pyridin-2-ylethanesulfonamide

C13H21N3O2S — CID 93453148

IUPACN-[(1R,2R)-2-aminocyclohexyl]-2-pyridin-2-ylethanesulfonamide
SMILESN[C@@H]1CCCC[C@H]1NS(=O)(=O)CCc1ccccn1
InChIInChI=1S/C13H21N3O2S/c14-12-6-1-2-7-13(12)16-19(17,18)10-8-11-5-3-4-9-15-11/h3-5,9,12-13,16H,1-2,6-8,10,14H2/t12-,13-/m1/s1
InChIKeyUYZIOKDDMBBOQM-CHWSQXEVSA-N
MW283.40 g/mol
LogP0.81
Rot. Bonds5

About N-[(1R,2R)-2-aminocyclohexyl]-2-pyridin-2-ylethanesulfonamide

N-[(1R,2R)-2-aminocyclohexyl]-2-pyridin-2-ylethanesulfonamide (PubChem CID 93453148) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is N-[(1R,2R)-2-aminocyclohexyl]-2-pyridin-2-ylethanesulfonamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-aminocyclohexyl]-2-pyridin-2-ylethanesulfonamide
PubChem CID93453148
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC NameN-[(1R,2R)-2-aminocyclohexyl]-2-pyridin-2-ylethanesulfonamide
SMILESN[C@@H]1CCCC[C@H]1NS(=O)(=O)CCc1ccccn1
InChIInChI=1S/C13H21N3O2S/c14-12-6-1-2-7-13(12)16-19(17,18)10-8-11-5-3-4-9-15-11/h3-5,9,12-13,16H,1-2,6-8,10,14H2/t12-,13-/m1/s1
InChIKeyUYZIOKDDMBBOQM-CHWSQXEVSA-N
XLogP0.81
TPSA85.08 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 ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(chloromethyl)cyclohexyl]-2-pyridin-2-ylethanesulfonamide
CID 106367830
N-[2-(chloromethyl)cyclopentyl]-2-pyridin-2-ylethanesulfonamide
CID 114179778
N-(2-bromocyclopentyl)-2-pyridin-2-ylethanesulfonamide
CID 80662740
N-(cyclooctylmethyl)-2-pyridin-2-ylethanesulfonamide
CID 75493544
N-(2-aminocyclohexyl)-2-[2,6-di(propan-2-yl)phenyl]ethanesulfonamide
CID 59537766
N-[1-(2-aminoethyl)piperidin-4-yl]-2-pyridin-2-ylethanesulfonamide
CID 63631308
1-(2-pyridin-2-ylethylsulfonyl)piperidin-4-amine
CID 60864901
N-(1-aminopentan-2-yl)-2-pyridin-2-ylethanesulfonamide
CID 61133014
N-(2-aminophenyl)-2-pyridin-2-ylethanesulfonamide
CID 60864371
2-pyridin-2-yl-N-(2-pyrrolidin-2-ylethyl)ethanesulfonamide
CID 114794213
N-(1-bromobutan-2-yl)-2-pyridin-2-ylethanesulfonamide
CID 114298456
1-[1-(2-pyridin-2-ylethylsulfonyl)piperidin-2-yl]ethanamine
CID 63255259

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-aminocyclohexyl]-2-pyridin-2-ylethanesulfonamide?
The IUPAC name of N-[(1R,2R)-2-aminocyclohexyl]-2-pyridin-2-ylethanesulfonamide (CID 93453148) is N-[(1R,2R)-2-aminocyclohexyl]-2-pyridin-2-ylethanesulfonamide.
What is the SMILES notation for N-[(1R,2R)-2-aminocyclohexyl]-2-pyridin-2-ylethanesulfonamide?
The canonical SMILES for N-[(1R,2R)-2-aminocyclohexyl]-2-pyridin-2-ylethanesulfonamide is N[C@@H]1CCCC[C@H]1NS(=O)(=O)CCc1ccccn1.
What is the InChIKey of N-[(1R,2R)-2-aminocyclohexyl]-2-pyridin-2-ylethanesulfonamide?
The InChIKey is UYZIOKDDMBBOQM-CHWSQXEVSA-N. The full InChI is InChI=1S/C13H21N3O2S/c14-12-6-1-2-7-13(12)16-19(17,18)10-8-11-5-3-4-9-15-11/h3-5,9,12-13,16H,1-2,6-8,10,14H2/t12-,13-/m1/s1.
What are the key properties of N-[(1R,2R)-2-aminocyclohexyl]-2-pyridin-2-ylethanesulfonamide?
N-[(1R,2R)-2-aminocyclohexyl]-2-pyridin-2-ylethanesulfonamide has a molecular weight of 283.40 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-aminocyclohexyl]-2-pyridin-2-ylethanesulfonamide is sourced from PubChem (CID 93453148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).