N-[(3S,4R,5R,6S)-4,5-dihydroxy-6-[(13-methyl-12,14-dioxo-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-3-yl)methyl]piperidin-3-yl]-2-trimethylsilylethanesulfonamide

C32H37N5O6SSi — CID 25215166

About N-[(3S,4R,5R,6S)-4,5-dihydroxy-6-[(13-methyl-12,14-dioxo-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-3-yl)methyl]piperidin-3-yl]-2-trimethylsilylethanesulfonamide

N-[(3S,4R,5R,6S)-4,5-dihydroxy-6-[(13-methyl-12,14-dioxo-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-3-yl)methyl]piperidin-3-yl]-2-trimethylsilylethanesulfonamide (PubChem CID 25215166) has the molecular formula C32H37N5O6SSi and a molecular weight of 647.83 g/mol. Its IUPAC name is N-[(3S,4R,5R,6S)-4,5-dihydroxy-6-[(13-methyl-12,14-dioxo-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-3-yl)methyl]piperidin-3-yl]-2-trimethylsilylethanesulfonamide.

Molecular Properties

• Compound Name: N-[(3S,4R,5R,6S)-4,5-dihydroxy-6-[(13-methyl-12,14-dioxo-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-3-yl)methyl]piperidin-3-yl]-2-trimethylsilylethanesulfonamide
• PubChem CID: 25215166
• Molecular Formula: C32H37N5O6SSi
• Molecular Weight: 647.83 g/mol
• Exact Mass: 647.22
• IUPAC Name: N-[(3S,4R,5R,6S)-4,5-dihydroxy-6-[(13-methyl-12,14-dioxo-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-3-yl)methyl]piperidin-3-yl]-2-trimethylsilylethanesulfonamide
• SMILES: CN1C(=O)c2c(c3c4ccccc4n(C[C@@H]4NC[C@H](NS(=O)(=O)CC[Si](C)(C)C)[C@@H](O)[C@@H]4O)c3c3[nH]c4ccccc4c23)C1=O
• InChI: InChI=1S/C32H37N5O6SSi/c1-36-31(40)25-23-17-9-5-7-11-19(17)34-27(23)28-24(26(25)32(36)41)18-10-6-8-12-22(18)37(28)16-21-30(39)29(38)20(15-33-21)35-44(42,43)13-14-45(2,3)4/h5-12,20-21,29-30,33-35,38-39H,13-16H2,1-4H3/t20-,21-,29+,30+/m0/s1
• InChIKey: QPRCEMRRZMUIJW-FELKJOBGSA-N
• XLogP: 2.97
• TPSA: 156.76 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	647.83
LogP ≤ 5	2.97
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R,5R,6S)-4,5-dihydroxy-6-[(13-methyl-12,14-dioxo-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-3-yl)methyl]piperidin-3-yl]-2-trimethylsilylethanesulfonamide?

The IUPAC name of N-[(3S,4R,5R,6S)-4,5-dihydroxy-6-[(13-methyl-12,14-dioxo-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-3-yl)methyl]piperidin-3-yl]-2-trimethylsilylethanesulfonamide (CID 25215166) is N-[(3S,4R,5R,6S)-4,5-dihydroxy-6-[(13-methyl-12,14-dioxo-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-3-yl)methyl]piperidin-3-yl]-2-trimethylsilylethanesulfonamide.

What is the SMILES notation for N-[(3S,4R,5R,6S)-4,5-dihydroxy-6-[(13-methyl-12,14-dioxo-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-3-yl)methyl]piperidin-3-yl]-2-trimethylsilylethanesulfonamide?

The canonical SMILES for N-[(3S,4R,5R,6S)-4,5-dihydroxy-6-[(13-methyl-12,14-dioxo-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-3-yl)methyl]piperidin-3-yl]-2-trimethylsilylethanesulfonamide is CN1C(=O)c2c(c3c4ccccc4n(C[C@@H]4NC[C@H](NS(=O)(=O)CC[Si](C)(C)C)[C@@H](O)[C@@H]4O)c3c3[nH]c4ccccc4c23)C1=O.

What is the InChIKey of N-[(3S,4R,5R,6S)-4,5-dihydroxy-6-[(13-methyl-12,14-dioxo-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-3-yl)methyl]piperidin-3-yl]-2-trimethylsilylethanesulfonamide?

The InChIKey is QPRCEMRRZMUIJW-FELKJOBGSA-N. The full InChI is InChI=1S/C32H37N5O6SSi/c1-36-31(40)25-23-17-9-5-7-11-19(17)34-27(23)28-24(26(25)32(36)41)18-10-6-8-12-22(18)37(28)16-21-30(39)29(38)20(15-33-21)35-44(42,43)13-14-45(2,3)4/h5-12,20-21,29-30,33-35,38-39H,13-16H2,1-4H3/t20-,21-,29+,30+/m0/s1.

What are the key properties of N-[(3S,4R,5R,6S)-4,5-dihydroxy-6-[(13-methyl-12,14-dioxo-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-3-yl)methyl]piperidin-3-yl]-2-trimethylsilylethanesulfonamide?

N-[(3S,4R,5R,6S)-4,5-dihydroxy-6-[(13-methyl-12,14-dioxo-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-3-yl)methyl]piperidin-3-yl]-2-trimethylsilylethanesulfonamide has a molecular weight of 647.83 g/mol, XLogP of 2.97, 7 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3S,4R,5R,6S)-4,5-dihydroxy-6-[(13-methyl-12,14-dioxo-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-3-yl)methyl]piperidin-3-yl]-2-trimethylsilylethanesulfonamide is sourced from PubChem (CID 25215166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).