[(2R,3R)-2-(benzenesulfonylmethyl)pyrrolidin-3-yl]oxy-tri(propan-2-yl)silane

C20H35NO3SSi — CID 11326984

IUPAC[(2R,3R)-2-(benzenesulfonylmethyl)pyrrolidin-3-yl]oxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](O[C@@H]1CCN[C@H]1CS(=O)(=O)c1ccccc1)(C(C)C)C(C)C
InChIInChI=1S/C20H35NO3SSi/c1-15(2)26(16(3)4,17(5)6)24-20-12-13-21-19(20)14-25(22,23)18-10-8-7-9-11-18/h7-11,15-17,19-21H,12-14H2,1-6H3/t19-,20+/m0/s1
InChIKeySMBKSKLFALBXOP-VQTJNVASSA-N
MW397.66 g/mol
LogP4.38
Rot. Bonds8

About [(2R,3R)-2-(benzenesulfonylmethyl)pyrrolidin-3-yl]oxy-tri(propan-2-yl)silane

[(2R,3R)-2-(benzenesulfonylmethyl)pyrrolidin-3-yl]oxy-tri(propan-2-yl)silane (PubChem CID 11326984) has the molecular formula C20H35NO3SSi and a molecular weight of 397.66 g/mol. Its IUPAC name is [(2R,3R)-2-(benzenesulfonylmethyl)pyrrolidin-3-yl]oxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(2R,3R)-2-(benzenesulfonylmethyl)pyrrolidin-3-yl]oxy-tri(propan-2-yl)silane
PubChem CID11326984
Molecular FormulaC20H35NO3SSi
Molecular Weight397.66 g/mol
Exact Mass397.21
IUPAC Name[(2R,3R)-2-(benzenesulfonylmethyl)pyrrolidin-3-yl]oxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](O[C@@H]1CCN[C@H]1CS(=O)(=O)c1ccccc1)(C(C)C)C(C)C
InChIInChI=1S/C20H35NO3SSi/c1-15(2)26(16(3)4,17(5)6)24-20-12-13-21-19(20)14-25(22,23)18-10-8-7-9-11-18/h7-11,15-17,19-21H,12-14H2,1-6H3/t19-,20+/m0/s1
InChIKeySMBKSKLFALBXOP-VQTJNVASSA-N
XLogP4.38
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.66
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-2-(benzenesulfonylmethyl)pyrrolidin-3-yl]oxy-tri(propan-2-yl)silane?
The IUPAC name of [(2R,3R)-2-(benzenesulfonylmethyl)pyrrolidin-3-yl]oxy-tri(propan-2-yl)silane (CID 11326984) is [(2R,3R)-2-(benzenesulfonylmethyl)pyrrolidin-3-yl]oxy-tri(propan-2-yl)silane.
What is the SMILES notation for [(2R,3R)-2-(benzenesulfonylmethyl)pyrrolidin-3-yl]oxy-tri(propan-2-yl)silane?
The canonical SMILES for [(2R,3R)-2-(benzenesulfonylmethyl)pyrrolidin-3-yl]oxy-tri(propan-2-yl)silane is CC(C)[Si](O[C@@H]1CCN[C@H]1CS(=O)(=O)c1ccccc1)(C(C)C)C(C)C.
What is the InChIKey of [(2R,3R)-2-(benzenesulfonylmethyl)pyrrolidin-3-yl]oxy-tri(propan-2-yl)silane?
The InChIKey is SMBKSKLFALBXOP-VQTJNVASSA-N. The full InChI is InChI=1S/C20H35NO3SSi/c1-15(2)26(16(3)4,17(5)6)24-20-12-13-21-19(20)14-25(22,23)18-10-8-7-9-11-18/h7-11,15-17,19-21H,12-14H2,1-6H3/t19-,20+/m0/s1.
What are the key properties of [(2R,3R)-2-(benzenesulfonylmethyl)pyrrolidin-3-yl]oxy-tri(propan-2-yl)silane?
[(2R,3R)-2-(benzenesulfonylmethyl)pyrrolidin-3-yl]oxy-tri(propan-2-yl)silane has a molecular weight of 397.66 g/mol, XLogP of 4.38, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-2-(benzenesulfonylmethyl)pyrrolidin-3-yl]oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 11326984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).