(R)-2-methyl-N-[(3R)-4-methyl-1-trimethylsilylpent-1-yn-3-yl]propane-2-sulfinamide

C13H27NOSSi — CID 46177919

IUPAC(R)-2-methyl-N-[(3R)-4-methyl-1-trimethylsilylpent-1-yn-3-yl]propane-2-sulfinamide
SMILESCC(C)[C@H](C#C[Si](C)(C)C)N[S@](=O)C(C)(C)C
InChIInChI=1S/C13H27NOSSi/c1-11(2)12(9-10-17(6,7)8)14-16(15)13(3,4)5/h11-12,14H,1-8H3/t12-,16+/m0/s1
InChIKeyWZVZUHIUNISYRB-BLLLJJGKSA-N
MW273.52 g/mol
LogP2.94
Rot. Bonds3

About (R)-2-methyl-N-[(3R)-4-methyl-1-trimethylsilylpent-1-yn-3-yl]propane-2-sulfinamide

(R)-2-methyl-N-[(3R)-4-methyl-1-trimethylsilylpent-1-yn-3-yl]propane-2-sulfinamide (PubChem CID 46177919) has the molecular formula C13H27NOSSi and a molecular weight of 273.52 g/mol. Its IUPAC name is (R)-2-methyl-N-[(3R)-4-methyl-1-trimethylsilylpent-1-yn-3-yl]propane-2-sulfinamide.

Molecular Properties

Compound Name(R)-2-methyl-N-[(3R)-4-methyl-1-trimethylsilylpent-1-yn-3-yl]propane-2-sulfinamide
PubChem CID46177919
Molecular FormulaC13H27NOSSi
Molecular Weight273.52 g/mol
Exact Mass273.16
IUPAC Name(R)-2-methyl-N-[(3R)-4-methyl-1-trimethylsilylpent-1-yn-3-yl]propane-2-sulfinamide
SMILESCC(C)[C@H](C#C[Si](C)(C)C)N[S@](=O)C(C)(C)C
InChIInChI=1S/C13H27NOSSi/c1-11(2)12(9-10-17(6,7)8)14-16(15)13(3,4)5/h11-12,14H,1-8H3/t12-,16+/m0/s1
InChIKeyWZVZUHIUNISYRB-BLLLJJGKSA-N
XLogP2.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.52
LogP ≤ 52.94
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'}

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Frequently Asked Questions

What is the IUPAC name of (R)-2-methyl-N-[(3R)-4-methyl-1-trimethylsilylpent-1-yn-3-yl]propane-2-sulfinamide?
The IUPAC name of (R)-2-methyl-N-[(3R)-4-methyl-1-trimethylsilylpent-1-yn-3-yl]propane-2-sulfinamide (CID 46177919) is (R)-2-methyl-N-[(3R)-4-methyl-1-trimethylsilylpent-1-yn-3-yl]propane-2-sulfinamide.
What is the SMILES notation for (R)-2-methyl-N-[(3R)-4-methyl-1-trimethylsilylpent-1-yn-3-yl]propane-2-sulfinamide?
The canonical SMILES for (R)-2-methyl-N-[(3R)-4-methyl-1-trimethylsilylpent-1-yn-3-yl]propane-2-sulfinamide is CC(C)[C@H](C#C[Si](C)(C)C)N[S@](=O)C(C)(C)C.
What is the InChIKey of (R)-2-methyl-N-[(3R)-4-methyl-1-trimethylsilylpent-1-yn-3-yl]propane-2-sulfinamide?
The InChIKey is WZVZUHIUNISYRB-BLLLJJGKSA-N. The full InChI is InChI=1S/C13H27NOSSi/c1-11(2)12(9-10-17(6,7)8)14-16(15)13(3,4)5/h11-12,14H,1-8H3/t12-,16+/m0/s1.
What are the key properties of (R)-2-methyl-N-[(3R)-4-methyl-1-trimethylsilylpent-1-yn-3-yl]propane-2-sulfinamide?
(R)-2-methyl-N-[(3R)-4-methyl-1-trimethylsilylpent-1-yn-3-yl]propane-2-sulfinamide has a molecular weight of 273.52 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-2-methyl-N-[(3R)-4-methyl-1-trimethylsilylpent-1-yn-3-yl]propane-2-sulfinamide is sourced from PubChem (CID 46177919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).