(2S)-N-(benzylsulfamoyl)-2-pyridin-3-yloxypropan-1-amine

C15H19N3O3S — CID 95399042

IUPAC(2S)-N-(benzylsulfamoyl)-2-pyridin-3-yloxypropan-1-amine
SMILESC[C@@H](CNS(=O)(=O)NCc1ccccc1)Oc1cccnc1
InChIInChI=1S/C15H19N3O3S/c1-13(21-15-8-5-9-16-12-15)10-17-22(19,20)18-11-14-6-3-2-4-7-14/h2-9,12-13,17-18H,10-11H2,1H3/t13-/m0/s1
InChIKeyVFSXMXJVJXUKGC-ZDUSSCGKSA-N
MW321.40 g/mol
LogP1.47
Rot. Bonds8

About (2S)-N-(benzylsulfamoyl)-2-pyridin-3-yloxypropan-1-amine

(2S)-N-(benzylsulfamoyl)-2-pyridin-3-yloxypropan-1-amine (PubChem CID 95399042) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is (2S)-N-(benzylsulfamoyl)-2-pyridin-3-yloxypropan-1-amine.

Molecular Properties

Compound Name(2S)-N-(benzylsulfamoyl)-2-pyridin-3-yloxypropan-1-amine
PubChem CID95399042
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Name(2S)-N-(benzylsulfamoyl)-2-pyridin-3-yloxypropan-1-amine
SMILESC[C@@H](CNS(=O)(=O)NCc1ccccc1)Oc1cccnc1
InChIInChI=1S/C15H19N3O3S/c1-13(21-15-8-5-9-16-12-15)10-17-22(19,20)18-11-14-6-3-2-4-7-14/h2-9,12-13,17-18H,10-11H2,1H3/t13-/m0/s1
InChIKeyVFSXMXJVJXUKGC-ZDUSSCGKSA-N
XLogP1.47
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(benzylsulfamoyl)-2-pyridin-3-yloxypropan-1-amine
CID 56861099
N-[(4-methoxyphenyl)methylsulfamoyl]-1-phenylmethanamine
CID 1475423
N-[[4-[(2-phenoxypropylamino)methyl]phenyl]methyl]methanesulfonamide
CID 123528234
N-[(2R)-2-pyridin-3-yloxypropyl]pentan-3-amine
CID 94497598
N-[2,2,2-trifluoro-1-[4-[(2-pyridin-3-yloxypropylamino)methyl]phenyl]ethyl]methanesulfonamide
CID 123914421
2-(4-methoxyphenoxy)-N-(pyridin-3-ylmethyl)propan-1-amine
CID 54803190
N,N-dimethyl-3-[[(2S)-2-pyridin-3-yloxypropyl]sulfamoyl]benzamide
CID 99931121
N-(2-pyridin-3-yloxypropyl)pentan-2-amine
CID 62583825
5-ethyl-N-(2-pyridin-3-yloxypropyl)pyrimidin-2-amine
CID 72937788
N-(pyridin-3-ylmethylsulfamoyl)benzamide
CID 142724613
N-[[4-(difluoromethoxy)phenyl]methyl]pyridine-3-sulfonamide
CID 3823851
N-[(4-methylphenyl)methylsulfamoyl]-1-phenylmethanamine
CID 1488551

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(benzylsulfamoyl)-2-pyridin-3-yloxypropan-1-amine?
The IUPAC name of (2S)-N-(benzylsulfamoyl)-2-pyridin-3-yloxypropan-1-amine (CID 95399042) is (2S)-N-(benzylsulfamoyl)-2-pyridin-3-yloxypropan-1-amine.
What is the SMILES notation for (2S)-N-(benzylsulfamoyl)-2-pyridin-3-yloxypropan-1-amine?
The canonical SMILES for (2S)-N-(benzylsulfamoyl)-2-pyridin-3-yloxypropan-1-amine is C[C@@H](CNS(=O)(=O)NCc1ccccc1)Oc1cccnc1.
What is the InChIKey of (2S)-N-(benzylsulfamoyl)-2-pyridin-3-yloxypropan-1-amine?
The InChIKey is VFSXMXJVJXUKGC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-13(21-15-8-5-9-16-12-15)10-17-22(19,20)18-11-14-6-3-2-4-7-14/h2-9,12-13,17-18H,10-11H2,1H3/t13-/m0/s1.
What are the key properties of (2S)-N-(benzylsulfamoyl)-2-pyridin-3-yloxypropan-1-amine?
(2S)-N-(benzylsulfamoyl)-2-pyridin-3-yloxypropan-1-amine has a molecular weight of 321.40 g/mol, XLogP of 1.47, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(benzylsulfamoyl)-2-pyridin-3-yloxypropan-1-amine is sourced from PubChem (CID 95399042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).