N-[[2-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]sulfanyl]-3-chloro-5-(2H-tetrazol-5-yl)phenyl]methyl]-2-methylpropane-2-sulfinamide

C24H35ClN6O2S2Si — CID 153436355

About N-[[2-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]sulfanyl]-3-chloro-5-(2H-tetrazol-5-yl)phenyl]methyl]-2-methylpropane-2-sulfinamide

N-[[2-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]sulfanyl]-3-chloro-5-(2H-tetrazol-5-yl)phenyl]methyl]-2-methylpropane-2-sulfinamide (PubChem CID 153436355) has the molecular formula C24H35ClN6O2S2Si and a molecular weight of 567.26 g/mol. Its IUPAC name is N-[[2-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]sulfanyl]-3-chloro-5-(2H-tetrazol-5-yl)phenyl]methyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

• Compound Name: N-[[2-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]sulfanyl]-3-chloro-5-(2H-tetrazol-5-yl)phenyl]methyl]-2-methylpropane-2-sulfinamide
• PubChem CID: 153436355
• Molecular Formula: C24H35ClN6O2S2Si
• Molecular Weight: 567.26 g/mol
• Exact Mass: 566.17
• IUPAC Name: N-[[2-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]sulfanyl]-3-chloro-5-(2H-tetrazol-5-yl)phenyl]methyl]-2-methylpropane-2-sulfinamide
• SMILES: CC(C)(C)S(=O)NCc1cc(-c2nn[nH]n2)cc(Cl)c1Sc1ncccc1CO[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C24H35ClN6O2S2Si/c1-23(2,3)35(32)27-14-18-12-17(21-28-30-31-29-21)13-19(25)20(18)34-22-16(10-9-11-26-22)15-33-36(7,8)24(4,5)6/h9-13,27H,14-15H2,1-8H3,(H,28,29,30,31)
• InChIKey: VWBMVPNRKQNHCY-UHFFFAOYSA-N
• XLogP: 6.14
• TPSA: 105.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	567.26
LogP ≤ 5	6.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[[2-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]sulfanyl]-3-chloro-5-(2H-tetrazol-5-yl)phenyl]methyl]-2-methylpropane-2-sulfinamide?

The IUPAC name of N-[[2-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]sulfanyl]-3-chloro-5-(2H-tetrazol-5-yl)phenyl]methyl]-2-methylpropane-2-sulfinamide (CID 153436355) is N-[[2-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]sulfanyl]-3-chloro-5-(2H-tetrazol-5-yl)phenyl]methyl]-2-methylpropane-2-sulfinamide.

What is the SMILES notation for N-[[2-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]sulfanyl]-3-chloro-5-(2H-tetrazol-5-yl)phenyl]methyl]-2-methylpropane-2-sulfinamide?

The canonical SMILES for N-[[2-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]sulfanyl]-3-chloro-5-(2H-tetrazol-5-yl)phenyl]methyl]-2-methylpropane-2-sulfinamide is CC(C)(C)S(=O)NCc1cc(-c2nn[nH]n2)cc(Cl)c1Sc1ncccc1CO[Si](C)(C)C(C)(C)C.

What is the InChIKey of N-[[2-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]sulfanyl]-3-chloro-5-(2H-tetrazol-5-yl)phenyl]methyl]-2-methylpropane-2-sulfinamide?

The InChIKey is VWBMVPNRKQNHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35ClN6O2S2Si/c1-23(2,3)35(32)27-14-18-12-17(21-28-30-31-29-21)13-19(25)20(18)34-22-16(10-9-11-26-22)15-33-36(7,8)24(4,5)6/h9-13,27H,14-15H2,1-8H3,(H,28,29,30,31).

What are the key properties of N-[[2-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]sulfanyl]-3-chloro-5-(2H-tetrazol-5-yl)phenyl]methyl]-2-methylpropane-2-sulfinamide?

N-[[2-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]sulfanyl]-3-chloro-5-(2H-tetrazol-5-yl)phenyl]methyl]-2-methylpropane-2-sulfinamide has a molecular weight of 567.26 g/mol, XLogP of 6.14, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[2-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]sulfanyl]-3-chloro-5-(2H-tetrazol-5-yl)phenyl]methyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 153436355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).