N-[(3R,4S)-4-hydroxyoxolan-3-yl]methanesulfonamide

C5H11NO4S — CID 130751513

IUPACN-[(3R,4S)-4-hydroxyoxolan-3-yl]methanesulfonamide
SMILESCS(=O)(=O)N[C@@H]1COC[C@H]1O
InChIInChI=1S/C5H11NO4S/c1-11(8,9)6-4-2-10-3-5(4)7/h4-7H,2-3H2,1H3/t4-,5-/m1/s1
InChIKeyLREUSDXNPWYENN-RFZPGFLSSA-N
MW181.21 g/mol
LogP-1.70
Rot. Bonds2

About N-[(3R,4S)-4-hydroxyoxolan-3-yl]methanesulfonamide

N-[(3R,4S)-4-hydroxyoxolan-3-yl]methanesulfonamide (PubChem CID 130751513) has the molecular formula C5H11NO4S and a molecular weight of 181.21 g/mol. Its IUPAC name is N-[(3R,4S)-4-hydroxyoxolan-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-hydroxyoxolan-3-yl]methanesulfonamide
PubChem CID130751513
Molecular FormulaC5H11NO4S
Molecular Weight181.21 g/mol
Exact Mass181.04
IUPAC NameN-[(3R,4S)-4-hydroxyoxolan-3-yl]methanesulfonamide
SMILESCS(=O)(=O)N[C@@H]1COC[C@H]1O
InChIInChI=1S/C5H11NO4S/c1-11(8,9)6-4-2-10-3-5(4)7/h4-7H,2-3H2,1H3/t4-,5-/m1/s1
InChIKeyLREUSDXNPWYENN-RFZPGFLSSA-N
XLogP-1.70
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 5-1.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R,4S)-4-hydroxyoxolan-3-yl]-2-methylpropane-2-sulfonamide
CID 11593774
1,1,1-trifluoro-N-[(3R,4S)-4-hydroxyoxolan-3-yl]methanesulfonamide
CID 130696836
1,1-difluoro-N-(4-hydroxyoxolan-3-yl)methanesulfonamide
CID 130831677
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
N-[3-(2,3-dihydroxypropoxy)-2-propan-2-yloxypropyl]methanesulfonamide
CID 88991651
N-[(2S)-3-hydroxy-2-propan-2-yloxypropyl]methanesulfonamide
CID 121481169
N-[3-(2,3-dihydroxypropoxy)-2-ethoxypropyl]methanesulfonamide
CID 123529529
[(3R,4S)-4-aminooxolan-3-yl] methanesulfonate
CID 132048559
N-(4-hydroxyoxolan-3-yl)-2-methylpropane-2-sulfonamide
CID 73023191
N-[[(2R,3S,4R)-4-amino-3-hydroxyoxolan-2-yl]methyl]methanesulfonamide
CID 75536651

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-hydroxyoxolan-3-yl]methanesulfonamide?
The IUPAC name of N-[(3R,4S)-4-hydroxyoxolan-3-yl]methanesulfonamide (CID 130751513) is N-[(3R,4S)-4-hydroxyoxolan-3-yl]methanesulfonamide.
What is the SMILES notation for N-[(3R,4S)-4-hydroxyoxolan-3-yl]methanesulfonamide?
The canonical SMILES for N-[(3R,4S)-4-hydroxyoxolan-3-yl]methanesulfonamide is CS(=O)(=O)N[C@@H]1COC[C@H]1O.
What is the InChIKey of N-[(3R,4S)-4-hydroxyoxolan-3-yl]methanesulfonamide?
The InChIKey is LREUSDXNPWYENN-RFZPGFLSSA-N. The full InChI is InChI=1S/C5H11NO4S/c1-11(8,9)6-4-2-10-3-5(4)7/h4-7H,2-3H2,1H3/t4-,5-/m1/s1.
What are the key properties of N-[(3R,4S)-4-hydroxyoxolan-3-yl]methanesulfonamide?
N-[(3R,4S)-4-hydroxyoxolan-3-yl]methanesulfonamide has a molecular weight of 181.21 g/mol, XLogP of -1.70, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-hydroxyoxolan-3-yl]methanesulfonamide is sourced from PubChem (CID 130751513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).