2-amino-N-[(1S)-1-phenylethyl]pyridine-3-sulfonamide

C13H15N3O2S — CID 107864042

IUPAC2-amino-N-[(1S)-1-phenylethyl]pyridine-3-sulfonamide
SMILESC[C@H](NS(=O)(=O)c1cccnc1N)c1ccccc1
InChIInChI=1S/C13H15N3O2S/c1-10(11-6-3-2-4-7-11)16-19(17,18)12-8-5-9-15-13(12)14/h2-10,16H,1H3,(H2,14,15)/t10-/m0/s1
InChIKeyRVRSSVVWFZSDKW-JTQLQIEISA-N
MW277.35 g/mol
LogP1.70
Rot. Bonds4

About 2-amino-N-[(1S)-1-phenylethyl]pyridine-3-sulfonamide

2-amino-N-[(1S)-1-phenylethyl]pyridine-3-sulfonamide (PubChem CID 107864042) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 2-amino-N-[(1S)-1-phenylethyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-amino-N-[(1S)-1-phenylethyl]pyridine-3-sulfonamide
PubChem CID107864042
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name2-amino-N-[(1S)-1-phenylethyl]pyridine-3-sulfonamide
SMILESC[C@H](NS(=O)(=O)c1cccnc1N)c1ccccc1
InChIInChI=1S/C13H15N3O2S/c1-10(11-6-3-2-4-7-11)16-19(17,18)12-8-5-9-15-13(12)14/h2-10,16H,1H3,(H2,14,15)/t10-/m0/s1
InChIKeyRVRSSVVWFZSDKW-JTQLQIEISA-N
XLogP1.70
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(3-methylbutan-2-yl)pyridine-3-sulfonamide
CID 62144955
2-amino-N-(1-phenylethyl)benzenesulfonamide
CID 16788499
3-amino-N-(1-phenylethyl)pyridine-2-sulfonamide
CID 103303814
2-amino-N-[(1R)-2-hydroxy-1-phenylethyl]pyridine-3-sulfonamide
CID 107862017
2-amino-N-(1-hydroxypropan-2-yl)pyridine-3-sulfonamide
CID 65427987
2-amino-N-[(2S)-1-hydroxypropan-2-yl]pyridine-3-sulfonamide
CID 107212659
2-amino-N-pentan-3-ylpyridine-3-sulfonamide
CID 62149159
1-N,5-N-bis[(1S)-1-phenylethyl]naphthalene-1,5-disulfonamide
CID 1274088
2-amino-N-(3-propan-2-ylphenyl)pyridine-3-sulfonamide
CID 62144250
N-(1-phenylethyl)benzenesulfonamide;hydrochloride
CID 70281153
2-amino-N-(1-hydroxybutan-2-yl)pyridine-3-sulfonamide
CID 65427796
3-amino-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 30079896

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1S)-1-phenylethyl]pyridine-3-sulfonamide?
The IUPAC name of 2-amino-N-[(1S)-1-phenylethyl]pyridine-3-sulfonamide (CID 107864042) is 2-amino-N-[(1S)-1-phenylethyl]pyridine-3-sulfonamide.
What is the SMILES notation for 2-amino-N-[(1S)-1-phenylethyl]pyridine-3-sulfonamide?
The canonical SMILES for 2-amino-N-[(1S)-1-phenylethyl]pyridine-3-sulfonamide is C[C@H](NS(=O)(=O)c1cccnc1N)c1ccccc1.
What is the InChIKey of 2-amino-N-[(1S)-1-phenylethyl]pyridine-3-sulfonamide?
The InChIKey is RVRSSVVWFZSDKW-JTQLQIEISA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-10(11-6-3-2-4-7-11)16-19(17,18)12-8-5-9-15-13(12)14/h2-10,16H,1H3,(H2,14,15)/t10-/m0/s1.
What are the key properties of 2-amino-N-[(1S)-1-phenylethyl]pyridine-3-sulfonamide?
2-amino-N-[(1S)-1-phenylethyl]pyridine-3-sulfonamide has a molecular weight of 277.35 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1S)-1-phenylethyl]pyridine-3-sulfonamide is sourced from PubChem (CID 107864042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).