2-[(1S,2R)-1,2-diphenyl-2-propoxyethyl]-1,2-thiazolidine 1,1-dioxide

C20H25NO3S — CID 12003382

IUPAC2-[(1S,2R)-1,2-diphenyl-2-propoxyethyl]-1,2-thiazolidine 1,1-dioxide
SMILESCCCO[C@H](c1ccccc1)[C@H](c1ccccc1)N1CCCS1(=O)=O
InChIInChI=1S/C20H25NO3S/c1-2-15-24-20(18-12-7-4-8-13-18)19(17-10-5-3-6-11-17)21-14-9-16-25(21,22)23/h3-8,10-13,19-20H,2,9,14-16H2,1H3/t19-,20+/m0/s1
InChIKeyPVKWDSGPPKEORS-VQTJNVASSA-N
MW359.49 g/mol
LogP3.93
Rot. Bonds7

About 2-[(1S,2R)-1,2-diphenyl-2-propoxyethyl]-1,2-thiazolidine 1,1-dioxide

2-[(1S,2R)-1,2-diphenyl-2-propoxyethyl]-1,2-thiazolidine 1,1-dioxide (PubChem CID 12003382) has the molecular formula C20H25NO3S and a molecular weight of 359.49 g/mol. Its IUPAC name is 2-[(1S,2R)-1,2-diphenyl-2-propoxyethyl]-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-[(1S,2R)-1,2-diphenyl-2-propoxyethyl]-1,2-thiazolidine 1,1-dioxide
PubChem CID12003382
Molecular FormulaC20H25NO3S
Molecular Weight359.49 g/mol
Exact Mass359.16
IUPAC Name2-[(1S,2R)-1,2-diphenyl-2-propoxyethyl]-1,2-thiazolidine 1,1-dioxide
SMILESCCCO[C@H](c1ccccc1)[C@H](c1ccccc1)N1CCCS1(=O)=O
InChIInChI=1S/C20H25NO3S/c1-2-15-24-20(18-12-7-4-8-13-18)19(17-10-5-3-6-11-17)21-14-9-16-25(21,22)23/h3-8,10-13,19-20H,2,9,14-16H2,1H3/t19-,20+/m0/s1
InChIKeyPVKWDSGPPKEORS-VQTJNVASSA-N
XLogP3.93
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.49
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2R)-1,2-diphenyl-2-propoxyethyl]-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-[(1S,2R)-1,2-diphenyl-2-propoxyethyl]-1,2-thiazolidine 1,1-dioxide (CID 12003382) is 2-[(1S,2R)-1,2-diphenyl-2-propoxyethyl]-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-[(1S,2R)-1,2-diphenyl-2-propoxyethyl]-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-[(1S,2R)-1,2-diphenyl-2-propoxyethyl]-1,2-thiazolidine 1,1-dioxide is CCCO[C@H](c1ccccc1)[C@H](c1ccccc1)N1CCCS1(=O)=O.
What is the InChIKey of 2-[(1S,2R)-1,2-diphenyl-2-propoxyethyl]-1,2-thiazolidine 1,1-dioxide?
The InChIKey is PVKWDSGPPKEORS-VQTJNVASSA-N. The full InChI is InChI=1S/C20H25NO3S/c1-2-15-24-20(18-12-7-4-8-13-18)19(17-10-5-3-6-11-17)21-14-9-16-25(21,22)23/h3-8,10-13,19-20H,2,9,14-16H2,1H3/t19-,20+/m0/s1.
What are the key properties of 2-[(1S,2R)-1,2-diphenyl-2-propoxyethyl]-1,2-thiazolidine 1,1-dioxide?
2-[(1S,2R)-1,2-diphenyl-2-propoxyethyl]-1,2-thiazolidine 1,1-dioxide has a molecular weight of 359.49 g/mol, XLogP of 3.93, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2R)-1,2-diphenyl-2-propoxyethyl]-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 12003382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).