(3S,4R)-4-[(methylsulfonimidoyl)amino]oxolan-3-ol

C5H12N2O3S — CID 164648322

IUPAC(3S,4R)-4-[(methylsulfonimidoyl)amino]oxolan-3-ol
SMILES[H]N=S(C)(=O)N[C@@H]1COC[C@H]1O
InChIInChI=1S/C5H12N2O3S/c1-11(6,9)7-4-2-10-3-5(4)8/h4-5,8H,2-3H2,1H3,(H2,6,7,9)/t4-,5-,11?/m1/s1
InChIKeyXYCXOYSOLREAEO-QIHUKQGYSA-N
MW180.23 g/mol
LogP-1.07
Rot. Bonds2

About (3S,4R)-4-[(methylsulfonimidoyl)amino]oxolan-3-ol

(3S,4R)-4-[(methylsulfonimidoyl)amino]oxolan-3-ol (PubChem CID 164648322) has the molecular formula C5H12N2O3S and a molecular weight of 180.23 g/mol. Its IUPAC name is (3S,4R)-4-[(methylsulfonimidoyl)amino]oxolan-3-ol.

Molecular Properties

Compound Name(3S,4R)-4-[(methylsulfonimidoyl)amino]oxolan-3-ol
PubChem CID164648322
Molecular FormulaC5H12N2O3S
Molecular Weight180.23 g/mol
Exact Mass180.06
IUPAC Name(3S,4R)-4-[(methylsulfonimidoyl)amino]oxolan-3-ol
SMILES[H]N=S(C)(=O)N[C@@H]1COC[C@H]1O
InChIInChI=1S/C5H12N2O3S/c1-11(6,9)7-4-2-10-3-5(4)8/h4-5,8H,2-3H2,1H3,(H2,6,7,9)/t4-,5-,11?/m1/s1
InChIKeyXYCXOYSOLREAEO-QIHUKQGYSA-N
XLogP-1.07
TPSA82.41 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 5-1.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-hydroxytetrahydrofuran-3-yl)propane-2-sulfonamide
CID 67196244
N-[(3S,4R)-4-hydroxyoxolan-3-yl]propane-2-sulfonamide
CID 67196245
trans-N-(4-hydroxytetrahydrofuran-3-yl)propane-2-sulfonamide
CID 67196247
(3S,4S)-4-(disulfanylamino)oxolan-3-ol
CID 146535073
4-Aminooxolan-3-ol;ethane
CID 153566509
N-[[(2R,3S,4R)-4-amino-3-hydroxyoxolan-2-yl]methyl]methanesulfonamide
CID 75536651
3-Hydroxy-4-(sulfamoylamino)oxolane
CID 126994992
1-bromo-N-[(3R,4S)-4-hydroxyoxolan-3-yl]methanesulfonamide
CID 130623589
N-(4-hydroxyoxolan-3-yl)ethanesulfinamide
CID 130671359
(3S,4R)-4-(methylsulfamoylamino)oxolan-3-ol
CID 130671824
N-(4-hydroxyoxolan-3-yl)methanesulfinamide
CID 130680333
N-(4-hydroxyoxolan-3-yl)ethanesulfonamide
CID 130686140

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-[(methylsulfonimidoyl)amino]oxolan-3-ol?
The IUPAC name of (3S,4R)-4-[(methylsulfonimidoyl)amino]oxolan-3-ol (CID 164648322) is (3S,4R)-4-[(methylsulfonimidoyl)amino]oxolan-3-ol.
What is the SMILES notation for (3S,4R)-4-[(methylsulfonimidoyl)amino]oxolan-3-ol?
The canonical SMILES for (3S,4R)-4-[(methylsulfonimidoyl)amino]oxolan-3-ol is [H]N=S(C)(=O)N[C@@H]1COC[C@H]1O.
What is the InChIKey of (3S,4R)-4-[(methylsulfonimidoyl)amino]oxolan-3-ol?
The InChIKey is XYCXOYSOLREAEO-QIHUKQGYSA-N. The full InChI is InChI=1S/C5H12N2O3S/c1-11(6,9)7-4-2-10-3-5(4)8/h4-5,8H,2-3H2,1H3,(H2,6,7,9)/t4-,5-,11?/m1/s1.
What are the key properties of (3S,4R)-4-[(methylsulfonimidoyl)amino]oxolan-3-ol?
(3S,4R)-4-[(methylsulfonimidoyl)amino]oxolan-3-ol has a molecular weight of 180.23 g/mol, XLogP of -1.07, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-[(methylsulfonimidoyl)amino]oxolan-3-ol is sourced from PubChem (CID 164648322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).