(S)-N-[(1S)-1-(4,4-difluorocyclohexyl)-3-trimethylsilylprop-2-ynyl]-2-methylpropane-2-sulfinamide

C16H29F2NOSSi — CID 178184127

IUPAC(S)-N-[(1S)-1-(4,4-difluorocyclohexyl)-3-trimethylsilylprop-2-ynyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@](=O)N[C@H](C#C[Si](C)(C)C)C1CCC(F)(F)CC1
InChIInChI=1S/C16H29F2NOSSi/c1-15(2,3)21(20)19-14(9-12-22(4,5)6)13-7-10-16(17,18)11-8-13/h13-14,19H,7-8,10-11H2,1-6H3/t14-,21+/m1/s1
InChIKeyCQPISZLFCSMPNM-SZNDQCEHSA-N
MW349.56 g/mol
LogP4.11
Rot. Bonds3

About (S)-N-[(1S)-1-(4,4-difluorocyclohexyl)-3-trimethylsilylprop-2-ynyl]-2-methylpropane-2-sulfinamide

(S)-N-[(1S)-1-(4,4-difluorocyclohexyl)-3-trimethylsilylprop-2-ynyl]-2-methylpropane-2-sulfinamide (PubChem CID 178184127) has the molecular formula C16H29F2NOSSi and a molecular weight of 349.56 g/mol. Its IUPAC name is (S)-N-[(1S)-1-(4,4-difluorocyclohexyl)-3-trimethylsilylprop-2-ynyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(S)-N-[(1S)-1-(4,4-difluorocyclohexyl)-3-trimethylsilylprop-2-ynyl]-2-methylpropane-2-sulfinamide
PubChem CID178184127
Molecular FormulaC16H29F2NOSSi
Molecular Weight349.56 g/mol
Exact Mass349.17
IUPAC Name(S)-N-[(1S)-1-(4,4-difluorocyclohexyl)-3-trimethylsilylprop-2-ynyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@](=O)N[C@H](C#C[Si](C)(C)C)C1CCC(F)(F)CC1
InChIInChI=1S/C16H29F2NOSSi/c1-15(2,3)21(20)19-14(9-12-22(4,5)6)13-7-10-16(17,18)11-8-13/h13-14,19H,7-8,10-11H2,1-6H3/t14-,21+/m1/s1
InChIKeyCQPISZLFCSMPNM-SZNDQCEHSA-N
XLogP4.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.56
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (S)-N-[(1S)-1-(4,4-difluorocyclohexyl)-3-trimethylsilylprop-2-ynyl]-2-methylpropane-2-sulfinamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (S)-N-[(1S)-1-(4,4-difluorocyclohexyl)-3-trimethylsilylprop-2-ynyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (S)-N-[(1S)-1-(4,4-difluorocyclohexyl)-3-trimethylsilylprop-2-ynyl]-2-methylpropane-2-sulfinamide (CID 178184127) is (S)-N-[(1S)-1-(4,4-difluorocyclohexyl)-3-trimethylsilylprop-2-ynyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (S)-N-[(1S)-1-(4,4-difluorocyclohexyl)-3-trimethylsilylprop-2-ynyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (S)-N-[(1S)-1-(4,4-difluorocyclohexyl)-3-trimethylsilylprop-2-ynyl]-2-methylpropane-2-sulfinamide is CC(C)(C)[S@](=O)N[C@H](C#C[Si](C)(C)C)C1CCC(F)(F)CC1.
What is the InChIKey of (S)-N-[(1S)-1-(4,4-difluorocyclohexyl)-3-trimethylsilylprop-2-ynyl]-2-methylpropane-2-sulfinamide?
The InChIKey is CQPISZLFCSMPNM-SZNDQCEHSA-N. The full InChI is InChI=1S/C16H29F2NOSSi/c1-15(2,3)21(20)19-14(9-12-22(4,5)6)13-7-10-16(17,18)11-8-13/h13-14,19H,7-8,10-11H2,1-6H3/t14-,21+/m1/s1.
What are the key properties of (S)-N-[(1S)-1-(4,4-difluorocyclohexyl)-3-trimethylsilylprop-2-ynyl]-2-methylpropane-2-sulfinamide?
(S)-N-[(1S)-1-(4,4-difluorocyclohexyl)-3-trimethylsilylprop-2-ynyl]-2-methylpropane-2-sulfinamide has a molecular weight of 349.56 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-N-[(1S)-1-(4,4-difluorocyclohexyl)-3-trimethylsilylprop-2-ynyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 178184127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).