N-[(R)-[5-[4-[[(1R,3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-tri(propan-2-yl)silyloxycyclopentyl]amino]pyrimidine-5-carbonyl]-2-chlorothiophen-3-yl]-(3-chlorophenyl)methyl]-N,2-dimethylpropane-2-sulfinamide

C42H66Cl2N4O4S2Si2 — CID 140937200

About N-[(R)-[5-[4-[[(1R,3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-tri(propan-2-yl)silyloxycyclopentyl]amino]pyrimidine-5-carbonyl]-2-chlorothiophen-3-yl]-(3-chlorophenyl)methyl]-N,2-dimethylpropane-2-sulfinamide

N-[(R)-[5-[4-[[(1R,3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-tri(propan-2-yl)silyloxycyclopentyl]amino]pyrimidine-5-carbonyl]-2-chlorothiophen-3-yl]-(3-chlorophenyl)methyl]-N,2-dimethylpropane-2-sulfinamide (PubChem CID 140937200) has the molecular formula C42H66Cl2N4O4S2Si2 and a molecular weight of 882.23 g/mol. Its IUPAC name is N-[(R)-[5-[4-[[(1R,3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-tri(propan-2-yl)silyloxycyclopentyl]amino]pyrimidine-5-carbonyl]-2-chlorothiophen-3-yl]-(3-chlorophenyl)methyl]-N,2-dimethylpropane-2-sulfinamide.

Molecular Properties

• Compound Name: N-[(R)-[5-[4-[[(1R,3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-tri(propan-2-yl)silyloxycyclopentyl]amino]pyrimidine-5-carbonyl]-2-chlorothiophen-3-yl]-(3-chlorophenyl)methyl]-N,2-dimethylpropane-2-sulfinamide
• PubChem CID: 140937200
• Molecular Formula: C42H66Cl2N4O4S2Si2
• Molecular Weight: 882.23 g/mol
• Exact Mass: 880.34
• IUPAC Name: N-[(R)-[5-[4-[[(1R,3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-tri(propan-2-yl)silyloxycyclopentyl]amino]pyrimidine-5-carbonyl]-2-chlorothiophen-3-yl]-(3-chlorophenyl)methyl]-N,2-dimethylpropane-2-sulfinamide
• SMILES: CC(C)[Si](O[C@H]1C[C@H](Nc2ncncc2C(=O)c2cc([C@@H](c3cccc(Cl)c3)N(C)S(=O)C(C)(C)C)c(Cl)s2)C[C@@H]1CO[Si](C)(C)C(C)(C)C)(C(C)C)C(C)C
• InChI: InChI=1S/C42H66Cl2N4O4S2Si2/c1-26(2)56(27(3)4,28(5)6)52-35-21-32(20-30(35)24-51-55(14,15)42(10,11)12)47-40-34(23-45-25-46-40)38(49)36-22-33(39(44)53-36)37(29-17-16-18-31(43)19-29)48(13)54(50)41(7,8)9/h16-19,22-23,25-28,30,32,35,37H,20-21,24H2,1-15H3,(H,45,46,47)/t30-,32-,35+,37-,54?/m1/s1
• InChIKey: PIXLEPOFEVBYBQ-YLJCMGSBSA-N
• XLogP: 12.33
• TPSA: 93.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 16
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	882.23
LogP ≤ 5	12.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(R)-[5-[4-[[(1R,3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-tri(propan-2-yl)silyloxycyclopentyl]amino]pyrimidine-5-carbonyl]-2-chlorothiophen-3-yl]-(3-chlorophenyl)methyl]-N,2-dimethylpropane-2-sulfinamide?

The IUPAC name of N-[(R)-[5-[4-[[(1R,3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-tri(propan-2-yl)silyloxycyclopentyl]amino]pyrimidine-5-carbonyl]-2-chlorothiophen-3-yl]-(3-chlorophenyl)methyl]-N,2-dimethylpropane-2-sulfinamide (CID 140937200) is N-[(R)-[5-[4-[[(1R,3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-tri(propan-2-yl)silyloxycyclopentyl]amino]pyrimidine-5-carbonyl]-2-chlorothiophen-3-yl]-(3-chlorophenyl)methyl]-N,2-dimethylpropane-2-sulfinamide.

What is the SMILES notation for N-[(R)-[5-[4-[[(1R,3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-tri(propan-2-yl)silyloxycyclopentyl]amino]pyrimidine-5-carbonyl]-2-chlorothiophen-3-yl]-(3-chlorophenyl)methyl]-N,2-dimethylpropane-2-sulfinamide?

The canonical SMILES for N-[(R)-[5-[4-[[(1R,3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-tri(propan-2-yl)silyloxycyclopentyl]amino]pyrimidine-5-carbonyl]-2-chlorothiophen-3-yl]-(3-chlorophenyl)methyl]-N,2-dimethylpropane-2-sulfinamide is CC(C)[Si](O[C@H]1C[C@H](Nc2ncncc2C(=O)c2cc([C@@H](c3cccc(Cl)c3)N(C)S(=O)C(C)(C)C)c(Cl)s2)C[C@@H]1CO[Si](C)(C)C(C)(C)C)(C(C)C)C(C)C.

What is the InChIKey of N-[(R)-[5-[4-[[(1R,3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-tri(propan-2-yl)silyloxycyclopentyl]amino]pyrimidine-5-carbonyl]-2-chlorothiophen-3-yl]-(3-chlorophenyl)methyl]-N,2-dimethylpropane-2-sulfinamide?

The InChIKey is PIXLEPOFEVBYBQ-YLJCMGSBSA-N. The full InChI is InChI=1S/C42H66Cl2N4O4S2Si2/c1-26(2)56(27(3)4,28(5)6)52-35-21-32(20-30(35)24-51-55(14,15)42(10,11)12)47-40-34(23-45-25-46-40)38(49)36-22-33(39(44)53-36)37(29-17-16-18-31(43)19-29)48(13)54(50)41(7,8)9/h16-19,22-23,25-28,30,32,35,37H,20-21,24H2,1-15H3,(H,45,46,47)/t30-,32-,35+,37-,54?/m1/s1.

What are the key properties of N-[(R)-[5-[4-[[(1R,3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-tri(propan-2-yl)silyloxycyclopentyl]amino]pyrimidine-5-carbonyl]-2-chlorothiophen-3-yl]-(3-chlorophenyl)methyl]-N,2-dimethylpropane-2-sulfinamide?

N-[(R)-[5-[4-[[(1R,3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-tri(propan-2-yl)silyloxycyclopentyl]amino]pyrimidine-5-carbonyl]-2-chlorothiophen-3-yl]-(3-chlorophenyl)methyl]-N,2-dimethylpropane-2-sulfinamide has a molecular weight of 882.23 g/mol, XLogP of 12.33, 16 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(R)-[5-[4-[[(1R,3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-tri(propan-2-yl)silyloxycyclopentyl]amino]pyrimidine-5-carbonyl]-2-chlorothiophen-3-yl]-(3-chlorophenyl)methyl]-N,2-dimethylpropane-2-sulfinamide is sourced from PubChem (CID 140937200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).