N-[3-[5-[(1R,2S)-2-aminocyclopropyl]-2-pyridinyl]phenyl]ethanesulfonamide

C16H19N3O2S — CID 56650263

IUPACN-[3-[5-[(1R,2S)-2-aminocyclopropyl]-2-pyridinyl]phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cccc(-c2ccc([C@H]3C[C@@H]3N)cn2)c1
InChIInChI=1S/C16H19N3O2S/c1-2-22(20,21)19-13-5-3-4-11(8-13)16-7-6-12(10-18-16)14-9-15(14)17/h3-8,10,14-15,19H,2,9,17H2,1H3/t14-,15+/m1/s1
InChIKeyIXIZAMPTBONALH-CABCVRRESA-N
MW317.41 g/mol
LogP2.32
Rot. Bonds5

About N-[3-[5-[(1R,2S)-2-aminocyclopropyl]-2-pyridinyl]phenyl]ethanesulfonamide

N-[3-[5-[(1R,2S)-2-aminocyclopropyl]-2-pyridinyl]phenyl]ethanesulfonamide (PubChem CID 56650263) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-[3-[5-[(1R,2S)-2-aminocyclopropyl]-2-pyridinyl]phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[3-[5-[(1R,2S)-2-aminocyclopropyl]-2-pyridinyl]phenyl]ethanesulfonamide
PubChem CID56650263
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC NameN-[3-[5-[(1R,2S)-2-aminocyclopropyl]-2-pyridinyl]phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cccc(-c2ccc([C@H]3C[C@@H]3N)cn2)c1
InChIInChI=1S/C16H19N3O2S/c1-2-22(20,21)19-13-5-3-4-11(8-13)16-7-6-12(10-18-16)14-9-15(14)17/h3-8,10,14-15,19H,2,9,17H2,1H3/t14-,15+/m1/s1
InChIKeyIXIZAMPTBONALH-CABCVRRESA-N
XLogP2.32
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-[(1R,2S)-2-aminocyclopropyl]-2-pyridinyl]phenyl]ethanesulfonamide?
The IUPAC name of N-[3-[5-[(1R,2S)-2-aminocyclopropyl]-2-pyridinyl]phenyl]ethanesulfonamide (CID 56650263) is N-[3-[5-[(1R,2S)-2-aminocyclopropyl]-2-pyridinyl]phenyl]ethanesulfonamide.
What is the SMILES notation for N-[3-[5-[(1R,2S)-2-aminocyclopropyl]-2-pyridinyl]phenyl]ethanesulfonamide?
The canonical SMILES for N-[3-[5-[(1R,2S)-2-aminocyclopropyl]-2-pyridinyl]phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1cccc(-c2ccc([C@H]3C[C@@H]3N)cn2)c1.
What is the InChIKey of N-[3-[5-[(1R,2S)-2-aminocyclopropyl]-2-pyridinyl]phenyl]ethanesulfonamide?
The InChIKey is IXIZAMPTBONALH-CABCVRRESA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-2-22(20,21)19-13-5-3-4-11(8-13)16-7-6-12(10-18-16)14-9-15(14)17/h3-8,10,14-15,19H,2,9,17H2,1H3/t14-,15+/m1/s1.
What are the key properties of N-[3-[5-[(1R,2S)-2-aminocyclopropyl]-2-pyridinyl]phenyl]ethanesulfonamide?
N-[3-[5-[(1R,2S)-2-aminocyclopropyl]-2-pyridinyl]phenyl]ethanesulfonamide has a molecular weight of 317.41 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-[(1R,2S)-2-aminocyclopropyl]-2-pyridinyl]phenyl]ethanesulfonamide is sourced from PubChem (CID 56650263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).