cis-(1S,2S)-2-tert-butyl-1-[[N-[tert-butyl(diphenyl)silyl]-S-phenylsulfonimidoyl]methyl]cyclohexan-1-ol

C33H45NO2SSi — CID 25035068

IUPACcis-(1S,2S)-2-tert-butyl-1-[[N-[tert-butyl(diphenyl)silyl]-S-phenylsulfonimidoyl]methyl]cyclohexan-1-ol
SMILESCC(C)(C)[C@@H]1CCCC[C@@]1(O)C[S@@](=O)(=N[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)c1ccccc1
InChIInChI=1S/C33H45NO2SSi/c1-31(2,3)30-24-16-17-25-33(30,35)26-37(36,27-18-10-7-11-19-27)34-38(32(4,5)6,28-20-12-8-13-21-28)29-22-14-9-15-23-29/h7-15,18-23,30,35H,16-17,24-26H2,1-6H3/t30-,33+,37-/m0/s1
InChIKeyJSGOFLIHZMKEEW-FEZYOPNHSA-N
MW547.88 g/mol
LogP7.04
Rot. Bonds6

About cis-(1S,2S)-2-tert-butyl-1-[[N-[tert-butyl(diphenyl)silyl]-S-phenylsulfonimidoyl]methyl]cyclohexan-1-ol

cis-(1S,2S)-2-tert-butyl-1-[[N-[tert-butyl(diphenyl)silyl]-S-phenylsulfonimidoyl]methyl]cyclohexan-1-ol (PubChem CID 25035068) has the molecular formula C33H45NO2SSi and a molecular weight of 547.88 g/mol. Its IUPAC name is cis-(1S,2S)-2-tert-butyl-1-[[N-[tert-butyl(diphenyl)silyl]-S-phenylsulfonimidoyl]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1S,2S)-2-tert-butyl-1-[[N-[tert-butyl(diphenyl)silyl]-S-phenylsulfonimidoyl]methyl]cyclohexan-1-ol
PubChem CID25035068
Molecular FormulaC33H45NO2SSi
Molecular Weight547.88 g/mol
Exact Mass547.29
IUPAC Namecis-(1S,2S)-2-tert-butyl-1-[[N-[tert-butyl(diphenyl)silyl]-S-phenylsulfonimidoyl]methyl]cyclohexan-1-ol
SMILESCC(C)(C)[C@@H]1CCCC[C@@]1(O)C[S@@](=O)(=N[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)c1ccccc1
InChIInChI=1S/C33H45NO2SSi/c1-31(2,3)30-24-16-17-25-33(30,35)26-37(36,27-18-10-7-11-19-27)34-38(32(4,5)6,28-20-12-8-13-21-28)29-22-14-9-15-23-29/h7-15,18-23,30,35H,16-17,24-26H2,1-6H3/t30-,33+,37-/m0/s1
InChIKeyJSGOFLIHZMKEEW-FEZYOPNHSA-N
XLogP7.04
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.88
LogP ≤ 57.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze cis-(1S,2S)-2-tert-butyl-1-[[N-[tert-butyl(diphenyl)silyl]-S-phenylsulfonimidoyl]methyl]cyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl-[(chloro-methyl-oxo-λ6-sulfanylidene)amino]-diphenylsilane
CID 154660343
2-tert-butyl-1-[(2,5-dimethylphenyl)methyl]cyclohexan-1-ol
CID 63407081
(1-anilino-2-tert-butylcyclohexyl)methanol
CID 61046415
2-tert-butyl-1-quinolin-3-ylcyclohexan-1-ol
CID 60925074
6,6-dimethyl-2-[(N-methyl-S-phenylsulfonimidoyl)methyl]bicyclo[2.2.1]heptan-2-ol
CID 117070306
2-tert-butyl-1-(ethoxymethyl)cyclohexan-1-ol
CID 79568315
cis-(1S,2S)-1-(benzenesulfonylmethyl)-2-(4-methylphenyl)sulfinylcyclohexan-1-ol
CID 101086540
1-(benzenesulfonylmethyl)bicyclo[4.1.0]heptane
CID 102030045
(1'R,5'R,6'S)-6'-[(N-methyl-S-phenylsulfonimidoyl)methyl]spiro[1,3-dioxolane-2,2'-bicyclo[3.2.2]non-8-ene]-6'-ol
CID 25048274
cis-(1S,2S)-1-[[3-[tert-butyl(diphenyl)silyl]oxyphenyl]methyl]cyclopentane-1,2-diol
CID 20691703
(5R,10R)-10-[tert-butyl(diphenyl)silyl]oxyspiro[4.5]decan-4-one
CID 10250796
2-[2-[tert-butyl(diphenyl)silyl]oxycyclohexyl]acetic acid
CID 68920543

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-2-tert-butyl-1-[[N-[tert-butyl(diphenyl)silyl]-S-phenylsulfonimidoyl]methyl]cyclohexan-1-ol?
The IUPAC name of cis-(1S,2S)-2-tert-butyl-1-[[N-[tert-butyl(diphenyl)silyl]-S-phenylsulfonimidoyl]methyl]cyclohexan-1-ol (CID 25035068) is cis-(1S,2S)-2-tert-butyl-1-[[N-[tert-butyl(diphenyl)silyl]-S-phenylsulfonimidoyl]methyl]cyclohexan-1-ol.
What is the SMILES notation for cis-(1S,2S)-2-tert-butyl-1-[[N-[tert-butyl(diphenyl)silyl]-S-phenylsulfonimidoyl]methyl]cyclohexan-1-ol?
The canonical SMILES for cis-(1S,2S)-2-tert-butyl-1-[[N-[tert-butyl(diphenyl)silyl]-S-phenylsulfonimidoyl]methyl]cyclohexan-1-ol is CC(C)(C)[C@@H]1CCCC[C@@]1(O)C[S@@](=O)(=N[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)c1ccccc1.
What is the InChIKey of cis-(1S,2S)-2-tert-butyl-1-[[N-[tert-butyl(diphenyl)silyl]-S-phenylsulfonimidoyl]methyl]cyclohexan-1-ol?
The InChIKey is JSGOFLIHZMKEEW-FEZYOPNHSA-N. The full InChI is InChI=1S/C33H45NO2SSi/c1-31(2,3)30-24-16-17-25-33(30,35)26-37(36,27-18-10-7-11-19-27)34-38(32(4,5)6,28-20-12-8-13-21-28)29-22-14-9-15-23-29/h7-15,18-23,30,35H,16-17,24-26H2,1-6H3/t30-,33+,37-/m0/s1.
What are the key properties of cis-(1S,2S)-2-tert-butyl-1-[[N-[tert-butyl(diphenyl)silyl]-S-phenylsulfonimidoyl]methyl]cyclohexan-1-ol?
cis-(1S,2S)-2-tert-butyl-1-[[N-[tert-butyl(diphenyl)silyl]-S-phenylsulfonimidoyl]methyl]cyclohexan-1-ol has a molecular weight of 547.88 g/mol, XLogP of 7.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-2-tert-butyl-1-[[N-[tert-butyl(diphenyl)silyl]-S-phenylsulfonimidoyl]methyl]cyclohexan-1-ol is sourced from PubChem (CID 25035068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).