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

C15H17N3O2S — CID 66714608

IUPACN-[2-[5-[(1S,2R)-2-aminocyclopropyl]-2-pyridinyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccccc1-c1ccc([C@@H]2C[C@H]2N)cn1
InChIInChI=1S/C15H17N3O2S/c1-21(19,20)18-15-5-3-2-4-11(15)14-7-6-10(9-17-14)12-8-13(12)16/h2-7,9,12-13,18H,8,16H2,1H3/t12-,13+/m0/s1
InChIKeyOSAPLCCPEHLMSW-QWHCGFSZSA-N
MW303.39 g/mol
LogP1.93
Rot. Bonds4

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

N-[2-[5-[(1S,2R)-2-aminocyclopropyl]-2-pyridinyl]phenyl]methanesulfonamide (PubChem CID 66714608) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is N-[2-[5-[(1S,2R)-2-aminocyclopropyl]-2-pyridinyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[5-[(1S,2R)-2-aminocyclopropyl]-2-pyridinyl]phenyl]methanesulfonamide
PubChem CID66714608
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC NameN-[2-[5-[(1S,2R)-2-aminocyclopropyl]-2-pyridinyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccccc1-c1ccc([C@@H]2C[C@H]2N)cn1
InChIInChI=1S/C15H17N3O2S/c1-21(19,20)18-15-5-3-2-4-11(15)14-7-6-10(9-17-14)12-8-13(12)16/h2-7,9,12-13,18H,8,16H2,1H3/t12-,13+/m0/s1
InChIKeyOSAPLCCPEHLMSW-QWHCGFSZSA-N
XLogP1.93
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-[5-[(1S,2R)-2-aminocyclopropyl]-2-pyridinyl]phenyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[(1S,2R)-2-aminocyclopropyl]-2-pyridinyl]phenyl]methanesulfonamide?
The IUPAC name of N-[2-[5-[(1S,2R)-2-aminocyclopropyl]-2-pyridinyl]phenyl]methanesulfonamide (CID 66714608) is N-[2-[5-[(1S,2R)-2-aminocyclopropyl]-2-pyridinyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-[5-[(1S,2R)-2-aminocyclopropyl]-2-pyridinyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[2-[5-[(1S,2R)-2-aminocyclopropyl]-2-pyridinyl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccccc1-c1ccc([C@@H]2C[C@H]2N)cn1.
What is the InChIKey of N-[2-[5-[(1S,2R)-2-aminocyclopropyl]-2-pyridinyl]phenyl]methanesulfonamide?
The InChIKey is OSAPLCCPEHLMSW-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-21(19,20)18-15-5-3-2-4-11(15)14-7-6-10(9-17-14)12-8-13(12)16/h2-7,9,12-13,18H,8,16H2,1H3/t12-,13+/m0/s1.
What are the key properties of N-[2-[5-[(1S,2R)-2-aminocyclopropyl]-2-pyridinyl]phenyl]methanesulfonamide?
N-[2-[5-[(1S,2R)-2-aminocyclopropyl]-2-pyridinyl]phenyl]methanesulfonamide has a molecular weight of 303.39 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[(1S,2R)-2-aminocyclopropyl]-2-pyridinyl]phenyl]methanesulfonamide is sourced from PubChem (CID 66714608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).