N-[[(2R,3S,4R)-3-hydroxy-4-(pyridin-2-ylmethylamino)oxolan-2-yl]methyl]methanesulfonamide

C12H19N3O4S — CID 75536658

IUPACN-[[(2R,3S,4R)-3-hydroxy-4-(pyridin-2-ylmethylamino)oxolan-2-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NC[C@H]1OC[C@@H](NCc2ccccn2)[C@@H]1O
InChIInChI=1S/C12H19N3O4S/c1-20(17,18)15-7-11-12(16)10(8-19-11)14-6-9-4-2-3-5-13-9/h2-5,10-12,14-16H,6-8H2,1H3/t10-,11-,12+/m1/s1
InChIKeyVHQDIVJIXPQZBY-UTUOFQBUSA-N
MW301.37 g/mol
LogP-1.15
Rot. Bonds6

About N-[[(2R,3S,4R)-3-hydroxy-4-(pyridin-2-ylmethylamino)oxolan-2-yl]methyl]methanesulfonamide

N-[[(2R,3S,4R)-3-hydroxy-4-(pyridin-2-ylmethylamino)oxolan-2-yl]methyl]methanesulfonamide (PubChem CID 75536658) has the molecular formula C12H19N3O4S and a molecular weight of 301.37 g/mol. Its IUPAC name is N-[[(2R,3S,4R)-3-hydroxy-4-(pyridin-2-ylmethylamino)oxolan-2-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[(2R,3S,4R)-3-hydroxy-4-(pyridin-2-ylmethylamino)oxolan-2-yl]methyl]methanesulfonamide
PubChem CID75536658
Molecular FormulaC12H19N3O4S
Molecular Weight301.37 g/mol
Exact Mass301.11
IUPAC NameN-[[(2R,3S,4R)-3-hydroxy-4-(pyridin-2-ylmethylamino)oxolan-2-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NC[C@H]1OC[C@@H](NCc2ccccn2)[C@@H]1O
InChIInChI=1S/C12H19N3O4S/c1-20(17,18)15-7-11-12(16)10(8-19-11)14-6-9-4-2-3-5-13-9/h2-5,10-12,14-16H,6-8H2,1H3/t10-,11-,12+/m1/s1
InChIKeyVHQDIVJIXPQZBY-UTUOFQBUSA-N
XLogP-1.15
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 5-1.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S,4R)-3-hydroxy-4-(pyridin-2-ylmethylamino)oxolan-2-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[(2R,3S,4R)-3-hydroxy-4-(pyridin-2-ylmethylamino)oxolan-2-yl]methyl]methanesulfonamide (CID 75536658) is N-[[(2R,3S,4R)-3-hydroxy-4-(pyridin-2-ylmethylamino)oxolan-2-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[(2R,3S,4R)-3-hydroxy-4-(pyridin-2-ylmethylamino)oxolan-2-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[(2R,3S,4R)-3-hydroxy-4-(pyridin-2-ylmethylamino)oxolan-2-yl]methyl]methanesulfonamide is CS(=O)(=O)NC[C@H]1OC[C@@H](NCc2ccccn2)[C@@H]1O.
What is the InChIKey of N-[[(2R,3S,4R)-3-hydroxy-4-(pyridin-2-ylmethylamino)oxolan-2-yl]methyl]methanesulfonamide?
The InChIKey is VHQDIVJIXPQZBY-UTUOFQBUSA-N. The full InChI is InChI=1S/C12H19N3O4S/c1-20(17,18)15-7-11-12(16)10(8-19-11)14-6-9-4-2-3-5-13-9/h2-5,10-12,14-16H,6-8H2,1H3/t10-,11-,12+/m1/s1.
What are the key properties of N-[[(2R,3S,4R)-3-hydroxy-4-(pyridin-2-ylmethylamino)oxolan-2-yl]methyl]methanesulfonamide?
N-[[(2R,3S,4R)-3-hydroxy-4-(pyridin-2-ylmethylamino)oxolan-2-yl]methyl]methanesulfonamide has a molecular weight of 301.37 g/mol, XLogP of -1.15, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S,4R)-3-hydroxy-4-(pyridin-2-ylmethylamino)oxolan-2-yl]methyl]methanesulfonamide is sourced from PubChem (CID 75536658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).