N-[(2S)-2-amino-2-phenylethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide

C15H16N4O3S — CID 97238560

IUPACN-[(2S)-2-amino-2-phenylethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide
SMILESCc1noc2ncc(S(=O)(=O)NC[C@@H](N)c3ccccc3)cc12
InChIInChI=1S/C15H16N4O3S/c1-10-13-7-12(8-17-15(13)22-19-10)23(20,21)18-9-14(16)11-5-3-2-4-6-11/h2-8,14,18H,9,16H2,1H3/t14-/m1/s1
InChIKeyONGJHBJSBLTXKS-CQSZACIVSA-N
MW332.39 g/mol
LogP1.51
Rot. Bonds5

About N-[(2S)-2-amino-2-phenylethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide

N-[(2S)-2-amino-2-phenylethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide (PubChem CID 97238560) has the molecular formula C15H16N4O3S and a molecular weight of 332.39 g/mol. Its IUPAC name is N-[(2S)-2-amino-2-phenylethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-amino-2-phenylethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide
PubChem CID97238560
Molecular FormulaC15H16N4O3S
Molecular Weight332.39 g/mol
Exact Mass332.09
IUPAC NameN-[(2S)-2-amino-2-phenylethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide
SMILESCc1noc2ncc(S(=O)(=O)NC[C@@H](N)c3ccccc3)cc12
InChIInChI=1S/C15H16N4O3S/c1-10-13-7-12(8-17-15(13)22-19-10)23(20,21)18-9-14(16)11-5-3-2-4-6-11/h2-8,14,18H,9,16H2,1H3/t14-/m1/s1
InChIKeyONGJHBJSBLTXKS-CQSZACIVSA-N
XLogP1.51
TPSA111.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.39
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(2S)-2-amino-2-phenylethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide with MolForge

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Related Compounds

N-(2-amino-2-phenylethyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride
CID 119976302
N-(2-amino-2-phenylethyl)-6-chloro-5-methylpyridine-3-sulfonamide;hydrochloride
CID 84591500
N-[(3-aminophenyl)methyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide
CID 86815657
2-[(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonylamino]benzamide
CID 60617945
N-(9-ethylcarbazol-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide
CID 60617944
N-[(2S)-2-amino-2-phenylethyl]-3-fluoro-5-methylbenzenesulfonamide
CID 97238580
N-[(2S)-2-amino-2-phenylethyl]-3,4,5-trifluorobenzenesulfonamide
CID 97238577
N-[(2R)-2-amino-2-phenylethyl]methanesulfonamide
CID 10656269
N-(2-amino-2-phenylethyl)-2,5-dimethylbenzenesulfonamide;hydrochloride
CID 119976287
N-(2-amino-2-phenylethyl)-4,5-dimethyl-2-nitrobenzenesulfonamide
CID 119976158
6-(aminomethyl)-N-(2-phenylpropyl)pyridine-3-sulfonamide
CID 114613731
N-(2-aminoethyl)-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide
CID 120874415

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-amino-2-phenylethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide?
The IUPAC name of N-[(2S)-2-amino-2-phenylethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide (CID 97238560) is N-[(2S)-2-amino-2-phenylethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide.
What is the SMILES notation for N-[(2S)-2-amino-2-phenylethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide?
The canonical SMILES for N-[(2S)-2-amino-2-phenylethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide is Cc1noc2ncc(S(=O)(=O)NC[C@@H](N)c3ccccc3)cc12.
What is the InChIKey of N-[(2S)-2-amino-2-phenylethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide?
The InChIKey is ONGJHBJSBLTXKS-CQSZACIVSA-N. The full InChI is InChI=1S/C15H16N4O3S/c1-10-13-7-12(8-17-15(13)22-19-10)23(20,21)18-9-14(16)11-5-3-2-4-6-11/h2-8,14,18H,9,16H2,1H3/t14-/m1/s1.
What are the key properties of N-[(2S)-2-amino-2-phenylethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide?
N-[(2S)-2-amino-2-phenylethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide has a molecular weight of 332.39 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-amino-2-phenylethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide is sourced from PubChem (CID 97238560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).