N-[(2S)-3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]-N-(furan-2-ylmethyl)methanesulfonamide

C22H22N2O5S — CID 2151834

IUPACN-[(2S)-3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]-N-(furan-2-ylmethyl)methanesulfonamide
SMILESCS(=O)(=O)N(Cc1ccco1)C[C@H](O)CON=C1c2ccccc2-c2ccccc21
InChIInChI=1S/C22H22N2O5S/c1-30(26,27)24(14-17-7-6-12-28-17)13-16(25)15-29-23-22-20-10-4-2-8-18(20)19-9-3-5-11-21(19)22/h2-12,16,25H,13-15H2,1H3/t16-/m0/s1
InChIKeyPBXHGCOYJAGSPY-INIZCTEOSA-N
MW426.49 g/mol
LogP2.85
Rot. Bonds8

About N-[(2S)-3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]-N-(furan-2-ylmethyl)methanesulfonamide

N-[(2S)-3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]-N-(furan-2-ylmethyl)methanesulfonamide (PubChem CID 2151834) has the molecular formula C22H22N2O5S and a molecular weight of 426.49 g/mol. Its IUPAC name is N-[(2S)-3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]-N-(furan-2-ylmethyl)methanesulfonamide.

Molecular Properties

Compound NameN-[(2S)-3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]-N-(furan-2-ylmethyl)methanesulfonamide
PubChem CID2151834
Molecular FormulaC22H22N2O5S
Molecular Weight426.49 g/mol
Exact Mass426.12
IUPAC NameN-[(2S)-3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]-N-(furan-2-ylmethyl)methanesulfonamide
SMILESCS(=O)(=O)N(Cc1ccco1)C[C@H](O)CON=C1c2ccccc2-c2ccccc21
InChIInChI=1S/C22H22N2O5S/c1-30(26,27)24(14-17-7-6-12-28-17)13-16(25)15-29-23-22-20-10-4-2-8-18(20)19-9-3-5-11-21(19)22/h2-12,16,25H,13-15H2,1H3/t16-/m0/s1
InChIKeyPBXHGCOYJAGSPY-INIZCTEOSA-N
XLogP2.85
TPSA92.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.49
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]-N-(furan-2-ylmethyl)methanesulfonamide?
The IUPAC name of N-[(2S)-3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]-N-(furan-2-ylmethyl)methanesulfonamide (CID 2151834) is N-[(2S)-3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]-N-(furan-2-ylmethyl)methanesulfonamide.
What is the SMILES notation for N-[(2S)-3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]-N-(furan-2-ylmethyl)methanesulfonamide?
The canonical SMILES for N-[(2S)-3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]-N-(furan-2-ylmethyl)methanesulfonamide is CS(=O)(=O)N(Cc1ccco1)C[C@H](O)CON=C1c2ccccc2-c2ccccc21.
What is the InChIKey of N-[(2S)-3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]-N-(furan-2-ylmethyl)methanesulfonamide?
The InChIKey is PBXHGCOYJAGSPY-INIZCTEOSA-N. The full InChI is InChI=1S/C22H22N2O5S/c1-30(26,27)24(14-17-7-6-12-28-17)13-16(25)15-29-23-22-20-10-4-2-8-18(20)19-9-3-5-11-21(19)22/h2-12,16,25H,13-15H2,1H3/t16-/m0/s1.
What are the key properties of N-[(2S)-3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]-N-(furan-2-ylmethyl)methanesulfonamide?
N-[(2S)-3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]-N-(furan-2-ylmethyl)methanesulfonamide has a molecular weight of 426.49 g/mol, XLogP of 2.85, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]-N-(furan-2-ylmethyl)methanesulfonamide is sourced from PubChem (CID 2151834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).