N-[(3S,4R)-4-hydroxyoxolan-3-yl]propane-2-sulfonamide

C7H15NO4S — CID 67196245

IUPACN-[(3S,4R)-4-hydroxyoxolan-3-yl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)N[C@H]1COC[C@@H]1O
InChIInChI=1S/C7H15NO4S/c1-5(2)13(10,11)8-6-3-12-4-7(6)9/h5-9H,3-4H2,1-2H3/t6-,7-/m0/s1
InChIKeyYBPDMRWXZRZOSF-BQBZGAKWSA-N
MW209.27 g/mol
LogP-0.93
Rot. Bonds3

About N-[(3S,4R)-4-hydroxyoxolan-3-yl]propane-2-sulfonamide

N-[(3S,4R)-4-hydroxyoxolan-3-yl]propane-2-sulfonamide (PubChem CID 67196245) has the molecular formula C7H15NO4S and a molecular weight of 209.27 g/mol. Its IUPAC name is N-[(3S,4R)-4-hydroxyoxolan-3-yl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[(3S,4R)-4-hydroxyoxolan-3-yl]propane-2-sulfonamide
PubChem CID67196245
Molecular FormulaC7H15NO4S
Molecular Weight209.27 g/mol
Exact Mass209.07
IUPAC NameN-[(3S,4R)-4-hydroxyoxolan-3-yl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)N[C@H]1COC[C@@H]1O
InChIInChI=1S/C7H15NO4S/c1-5(2)13(10,11)8-6-3-12-4-7(6)9/h5-9H,3-4H2,1-2H3/t6-,7-/m0/s1
InChIKeyYBPDMRWXZRZOSF-BQBZGAKWSA-N
XLogP-0.93
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 5-0.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-hydroxyoxolan-3-yl]propane-2-sulfonamide?
The IUPAC name of N-[(3S,4R)-4-hydroxyoxolan-3-yl]propane-2-sulfonamide (CID 67196245) is N-[(3S,4R)-4-hydroxyoxolan-3-yl]propane-2-sulfonamide.
What is the SMILES notation for N-[(3S,4R)-4-hydroxyoxolan-3-yl]propane-2-sulfonamide?
The canonical SMILES for N-[(3S,4R)-4-hydroxyoxolan-3-yl]propane-2-sulfonamide is CC(C)S(=O)(=O)N[C@H]1COC[C@@H]1O.
What is the InChIKey of N-[(3S,4R)-4-hydroxyoxolan-3-yl]propane-2-sulfonamide?
The InChIKey is YBPDMRWXZRZOSF-BQBZGAKWSA-N. The full InChI is InChI=1S/C7H15NO4S/c1-5(2)13(10,11)8-6-3-12-4-7(6)9/h5-9H,3-4H2,1-2H3/t6-,7-/m0/s1.
What are the key properties of N-[(3S,4R)-4-hydroxyoxolan-3-yl]propane-2-sulfonamide?
N-[(3S,4R)-4-hydroxyoxolan-3-yl]propane-2-sulfonamide has a molecular weight of 209.27 g/mol, XLogP of -0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-4-hydroxyoxolan-3-yl]propane-2-sulfonamide is sourced from PubChem (CID 67196245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).