1-[[N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-S-[4-(trifluoromethyl)phenyl]sulfonimidoyl]methyl]cyclopentan-1-ol

About 1-[[N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-S-[4-(trifluoromethyl)phenyl]sulfonimidoyl]methyl]cyclopentan-1-ol

1-[[N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-S-[4-(trifluoromethyl)phenyl]sulfonimidoyl]methyl]cyclopentan-1-ol (PubChem CID 10720406) has the molecular formula C24H40F3NO3SSi and a molecular weight of 507.74 g/mol. Its IUPAC name is 1-[[N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-S-[4-(trifluoromethyl)phenyl]sulfonimidoyl]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name	1-[[N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-S-[4-(trifluoromethyl)phenyl]sulfonimidoyl]methyl]cyclopentan-1-ol
PubChem CID	10720406
Molecular Formula	C24H40F3NO3SSi
Molecular Weight	507.74 g/mol
Exact Mass	507.25
IUPAC Name	1-[[N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-S-[4-(trifluoromethyl)phenyl]sulfonimidoyl]methyl]cyclopentan-1-ol
SMILES	CC(C)[C@H](CO[Si](C)(C)C(C)(C)C)N=S(=O)(CC1(O)CCCC1)c1ccc(C(F)(F)F)cc1
InChI	InChI=1S/C24H40F3NO3SSi/c1-18(2)21(16-31-33(6,7)22(3,4)5)28-32(30,17-23(29)14-8-9-15-23)20-12-10-19(11-13-20)24(25,26)27/h10-13,18,21,29H,8-9,14-17H2,1-7H3/t21-,32?/m0/s1
InChIKey	NNFMIOOYOXHXDR-GIFGLUKTSA-N
XLogP	6.88
TPSA	58.89 Å²
H-Bond Donors	1
H-Bond Acceptors	4
Rotatable Bonds	8
Heavy Atoms	33
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	507.74
LogP ≤ 5	6.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1-[[N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-S-[4-(trifluoromethyl)phenyl]sulfonimidoyl]methyl]cyclopentan-1-ol?

The IUPAC name of 1-[[N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-S-[4-(trifluoromethyl)phenyl]sulfonimidoyl]methyl]cyclopentan-1-ol (CID 10720406) is 1-[[N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-S-[4-(trifluoromethyl)phenyl]sulfonimidoyl]methyl]cyclopentan-1-ol.

What is the SMILES notation for 1-[[N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-S-[4-(trifluoromethyl)phenyl]sulfonimidoyl]methyl]cyclopentan-1-ol?

The canonical SMILES for 1-[[N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-S-[4-(trifluoromethyl)phenyl]sulfonimidoyl]methyl]cyclopentan-1-ol is CC(C)[C@H](CO[Si](C)(C)C(C)(C)C)N=S(=O)(CC1(O)CCCC1)c1ccc(C(F)(F)F)cc1.

What is the InChIKey of 1-[[N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-S-[4-(trifluoromethyl)phenyl]sulfonimidoyl]methyl]cyclopentan-1-ol?

The InChIKey is NNFMIOOYOXHXDR-GIFGLUKTSA-N. The full InChI is InChI=1S/C24H40F3NO3SSi/c1-18(2)21(16-31-33(6,7)22(3,4)5)28-32(30,17-23(29)14-8-9-15-23)20-12-10-19(11-13-20)24(25,26)27/h10-13,18,21,29H,8-9,14-17H2,1-7H3/t21-,32?/m0/s1.

What are the key properties of 1-[[N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-S-[4-(trifluoromethyl)phenyl]sulfonimidoyl]methyl]cyclopentan-1-ol?

1-[[N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-S-[4-(trifluoromethyl)phenyl]sulfonimidoyl]methyl]cyclopentan-1-ol has a molecular weight of 507.74 g/mol, XLogP of 6.88, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-S-[4-(trifluoromethyl)phenyl]sulfonimidoyl]methyl]cyclopentan-1-ol is sourced from PubChem (CID 10720406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).