tert-butyl N-[(3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-[4-[1-(methanesulfonamidomethyl)cyclopropyl]phenyl]-2-oxopiperidin-3-yl]carbamate

About tert-butyl N-[(3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-[4-[1-(methanesulfonamidomethyl)cyclopropyl]phenyl]-2-oxopiperidin-3-yl]carbamate

tert-butyl N-[(3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-[4-[1-(methanesulfonamidomethyl)cyclopropyl]phenyl]-2-oxopiperidin-3-yl]carbamate (PubChem CID 153408838) has the molecular formula C27H45N3O6SSi and a molecular weight of 567.83 g/mol. Its IUPAC name is tert-butyl N-[(3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-[4-[1-(methanesulfonamidomethyl)cyclopropyl]phenyl]-2-oxopiperidin-3-yl]carbamate.

Molecular Properties

Compound Name	tert-butyl N-[(3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-[4-[1-(methanesulfonamidomethyl)cyclopropyl]phenyl]-2-oxopiperidin-3-yl]carbamate
PubChem CID	153408838
Molecular Formula	C27H45N3O6SSi
Molecular Weight	567.83 g/mol
Exact Mass	567.28
IUPAC Name	tert-butyl N-[(3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-[4-[1-(methanesulfonamidomethyl)cyclopropyl]phenyl]-2-oxopiperidin-3-yl]carbamate
SMILES	CC(C)(C)OC(=O)N[C@H]1C[C@H](O[Si](C)(C)C(C)(C)C)CN(c2ccc(C3(CNS(C)(=O)=O)CC3)cc2)C1=O
InChI	InChI=1S/C27H45N3O6SSi/c1-25(2,3)35-24(32)29-22-16-21(36-38(8,9)26(4,5)6)17-30(23(22)31)20-12-10-19(11-13-20)27(14-15-27)18-28-37(7,33)34/h10-13,21-22,28H,14-18H2,1-9H3,(H,29,32)/t21-,22-/m0/s1
InChIKey	OIJMVSAQRRRBBE-VXKWHMMOSA-N
XLogP	4.29
TPSA	114.04 Å²
H-Bond Donors	2
H-Bond Acceptors	6
Rotatable Bonds	8
Heavy Atoms	38
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	567.83
LogP ≤ 5	4.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-[4-[1-(methanesulfonamidomethyl)cyclopropyl]phenyl]-2-oxopiperidin-3-yl]carbamate?

The IUPAC name of tert-butyl N-[(3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-[4-[1-(methanesulfonamidomethyl)cyclopropyl]phenyl]-2-oxopiperidin-3-yl]carbamate (CID 153408838) is tert-butyl N-[(3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-[4-[1-(methanesulfonamidomethyl)cyclopropyl]phenyl]-2-oxopiperidin-3-yl]carbamate.

What is the SMILES notation for tert-butyl N-[(3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-[4-[1-(methanesulfonamidomethyl)cyclopropyl]phenyl]-2-oxopiperidin-3-yl]carbamate?

The canonical SMILES for tert-butyl N-[(3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-[4-[1-(methanesulfonamidomethyl)cyclopropyl]phenyl]-2-oxopiperidin-3-yl]carbamate is CC(C)(C)OC(=O)N[C@H]1C[C@H](O[Si](C)(C)C(C)(C)C)CN(c2ccc(C3(CNS(C)(=O)=O)CC3)cc2)C1=O.

What is the InChIKey of tert-butyl N-[(3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-[4-[1-(methanesulfonamidomethyl)cyclopropyl]phenyl]-2-oxopiperidin-3-yl]carbamate?

The InChIKey is OIJMVSAQRRRBBE-VXKWHMMOSA-N. The full InChI is InChI=1S/C27H45N3O6SSi/c1-25(2,3)35-24(32)29-22-16-21(36-38(8,9)26(4,5)6)17-30(23(22)31)20-12-10-19(11-13-20)27(14-15-27)18-28-37(7,33)34/h10-13,21-22,28H,14-18H2,1-9H3,(H,29,32)/t21-,22-/m0/s1.

What are the key properties of tert-butyl N-[(3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-[4-[1-(methanesulfonamidomethyl)cyclopropyl]phenyl]-2-oxopiperidin-3-yl]carbamate?

tert-butyl N-[(3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-[4-[1-(methanesulfonamidomethyl)cyclopropyl]phenyl]-2-oxopiperidin-3-yl]carbamate has a molecular weight of 567.83 g/mol, XLogP of 4.29, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[(3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-[4-[1-(methanesulfonamidomethyl)cyclopropyl]phenyl]-2-oxopiperidin-3-yl]carbamate is sourced from PubChem (CID 153408838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).