N-[[(2R,5S)-5-formyloxolan-2-yl]methylidene]ethanesulfonamide

C8H13NO4S — CID 154405807

IUPACN-[[(2R,5S)-5-formyloxolan-2-yl]methylidene]ethanesulfonamide
SMILESCCS(=O)(=O)N=C[C@H]1CC[C@@H](C=O)O1
InChIInChI=1S/C8H13NO4S/c1-2-14(11,12)9-5-7-3-4-8(6-10)13-7/h5-8H,2-4H2,1H3/t7-,8+/m1/s1
InChIKeyHSMJVLSGCCTHDI-SFYZADRCSA-N
MW219.26 g/mol
LogP0.15
Rot. Bonds4

About N-[[(2R,5S)-5-formyloxolan-2-yl]methylidene]ethanesulfonamide

N-[[(2R,5S)-5-formyloxolan-2-yl]methylidene]ethanesulfonamide (PubChem CID 154405807) has the molecular formula C8H13NO4S and a molecular weight of 219.26 g/mol. Its IUPAC name is N-[[(2R,5S)-5-formyloxolan-2-yl]methylidene]ethanesulfonamide.

Molecular Properties

Compound NameN-[[(2R,5S)-5-formyloxolan-2-yl]methylidene]ethanesulfonamide
PubChem CID154405807
Molecular FormulaC8H13NO4S
Molecular Weight219.26 g/mol
Exact Mass219.06
IUPAC NameN-[[(2R,5S)-5-formyloxolan-2-yl]methylidene]ethanesulfonamide
SMILESCCS(=O)(=O)N=C[C@H]1CC[C@@H](C=O)O1
InChIInChI=1S/C8H13NO4S/c1-2-14(11,12)9-5-7-3-4-8(6-10)13-7/h5-8H,2-4H2,1H3/t7-,8+/m1/s1
InChIKeyHSMJVLSGCCTHDI-SFYZADRCSA-N
XLogP0.15
TPSA72.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R,5S)-5-formyloxolan-2-yl]methylidene]ethanesulfonamide?
The IUPAC name of N-[[(2R,5S)-5-formyloxolan-2-yl]methylidene]ethanesulfonamide (CID 154405807) is N-[[(2R,5S)-5-formyloxolan-2-yl]methylidene]ethanesulfonamide.
What is the SMILES notation for N-[[(2R,5S)-5-formyloxolan-2-yl]methylidene]ethanesulfonamide?
The canonical SMILES for N-[[(2R,5S)-5-formyloxolan-2-yl]methylidene]ethanesulfonamide is CCS(=O)(=O)N=C[C@H]1CC[C@@H](C=O)O1.
What is the InChIKey of N-[[(2R,5S)-5-formyloxolan-2-yl]methylidene]ethanesulfonamide?
The InChIKey is HSMJVLSGCCTHDI-SFYZADRCSA-N. The full InChI is InChI=1S/C8H13NO4S/c1-2-14(11,12)9-5-7-3-4-8(6-10)13-7/h5-8H,2-4H2,1H3/t7-,8+/m1/s1.
What are the key properties of N-[[(2R,5S)-5-formyloxolan-2-yl]methylidene]ethanesulfonamide?
N-[[(2R,5S)-5-formyloxolan-2-yl]methylidene]ethanesulfonamide has a molecular weight of 219.26 g/mol, XLogP of 0.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,5S)-5-formyloxolan-2-yl]methylidene]ethanesulfonamide is sourced from PubChem (CID 154405807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).