[4-[(1,1-dioxothian-4-yl)carbamoyl]-2,2,6,6-tetramethylpiperidin-1-yl]oxidanium

C15H29N2O4S+ — CID 164982584

IUPAC[4-[(1,1-dioxothian-4-yl)carbamoyl]-2,2,6,6-tetramethylpiperidin-1-yl]oxidanium
SMILESCC1(C)CC(C(=O)NC2CCS(=O)(=O)CC2)CC(C)(C)N1[OH2+]
InChIInChI=1S/C15H28N2O4S/c1-14(2)9-11(10-15(3,4)17(14)19)13(18)16-12-5-7-22(20,21)8-6-12/h11-12,19H,5-10H2,1-4H3,(H,16,18)/p+1
InChIKeyFSACWIZAEBXCFY-UHFFFAOYSA-O
MW333.47 g/mol
LogP0.59
Rot. Bonds2

About [4-[(1,1-dioxothian-4-yl)carbamoyl]-2,2,6,6-tetramethylpiperidin-1-yl]oxidanium

[4-[(1,1-dioxothian-4-yl)carbamoyl]-2,2,6,6-tetramethylpiperidin-1-yl]oxidanium (PubChem CID 164982584) has the molecular formula C15H29N2O4S+ and a molecular weight of 333.47 g/mol. Its IUPAC name is [4-[(1,1-dioxothian-4-yl)carbamoyl]-2,2,6,6-tetramethylpiperidin-1-yl]oxidanium.

Molecular Properties

Compound Name[4-[(1,1-dioxothian-4-yl)carbamoyl]-2,2,6,6-tetramethylpiperidin-1-yl]oxidanium
PubChem CID164982584
Molecular FormulaC15H29N2O4S+
Molecular Weight333.47 g/mol
Exact Mass333.18
IUPAC Name[4-[(1,1-dioxothian-4-yl)carbamoyl]-2,2,6,6-tetramethylpiperidin-1-yl]oxidanium
SMILESCC1(C)CC(C(=O)NC2CCS(=O)(=O)CC2)CC(C)(C)N1[OH2+]
InChIInChI=1S/C15H28N2O4S/c1-14(2)9-11(10-15(3,4)17(14)19)13(18)16-12-5-7-22(20,21)8-6-12/h11-12,19H,5-10H2,1-4H3,(H,16,18)/p+1
InChIKeyFSACWIZAEBXCFY-UHFFFAOYSA-O
XLogP0.59
TPSA89.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.47
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(1,1-dioxothian-4-yl)cyclopentane-1-carboxamide
CID 66032491
N-(1,1-dioxothian-4-yl)-6-methylpiperidine-3-carboxamide
CID 43615347
1-cyclopropyl-3-(1,1-dioxothian-4-yl)urea
CID 115673028
N-(1,1-dioxothian-4-yl)-4-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-(2-methylsulfanylethyl)-4-oxobutanamide
CID 163962826
N-(1,1-dioxothian-4-yl)-2-(2-methylsulfanylethyl)-4-oxo-4-(1,2,2,6,6-pentamethylpiperidin-4-yl)butanamide
CID 163549119
N-[4-(2-methylbutan-2-yl)cyclohexyl]-1,1-dioxothiane-4-carboxamide
CID 75407298
[4-(carboniodidoylamino)-2,2,6,6-tetramethylpiperidin-1-yl]oxidanium
CID 144997352
[3-[(1,1-dioxothian-4-yl)carbamoyl]-5-oxo-5-(1,2,2,6,6-pentamethylpiperidin-4-yl)pentyl] nitrate
CID 163747813
N-(4-hydroxycyclohexyl)-1,1-dioxothiolane-3-carboxamide
CID 43392962
N-cyclohexyl-2,2,6,6-tetramethylpiperidine-4-carboxamide
CID 90092330
N-(1,1-dioxothian-4-yl)-5-methylpiperazine-2-carboxamide
CID 63102388
N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 7114858

Frequently Asked Questions

What is the IUPAC name of [4-[(1,1-dioxothian-4-yl)carbamoyl]-2,2,6,6-tetramethylpiperidin-1-yl]oxidanium?
The IUPAC name of [4-[(1,1-dioxothian-4-yl)carbamoyl]-2,2,6,6-tetramethylpiperidin-1-yl]oxidanium (CID 164982584) is [4-[(1,1-dioxothian-4-yl)carbamoyl]-2,2,6,6-tetramethylpiperidin-1-yl]oxidanium.
What is the SMILES notation for [4-[(1,1-dioxothian-4-yl)carbamoyl]-2,2,6,6-tetramethylpiperidin-1-yl]oxidanium?
The canonical SMILES for [4-[(1,1-dioxothian-4-yl)carbamoyl]-2,2,6,6-tetramethylpiperidin-1-yl]oxidanium is CC1(C)CC(C(=O)NC2CCS(=O)(=O)CC2)CC(C)(C)N1[OH2+].
What is the InChIKey of [4-[(1,1-dioxothian-4-yl)carbamoyl]-2,2,6,6-tetramethylpiperidin-1-yl]oxidanium?
The InChIKey is FSACWIZAEBXCFY-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H28N2O4S/c1-14(2)9-11(10-15(3,4)17(14)19)13(18)16-12-5-7-22(20,21)8-6-12/h11-12,19H,5-10H2,1-4H3,(H,16,18)/p+1.
What are the key properties of [4-[(1,1-dioxothian-4-yl)carbamoyl]-2,2,6,6-tetramethylpiperidin-1-yl]oxidanium?
[4-[(1,1-dioxothian-4-yl)carbamoyl]-2,2,6,6-tetramethylpiperidin-1-yl]oxidanium has a molecular weight of 333.47 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1,1-dioxothian-4-yl)carbamoyl]-2,2,6,6-tetramethylpiperidin-1-yl]oxidanium is sourced from PubChem (CID 164982584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).