N-[[1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidin-3-yl]methyl]propane-1-sulfonamide

C17H35N3O2S — CID 56756103

IUPACN-[[1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidin-3-yl]methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCC1CCN(C2CC(C)(C)NC(C)(C)C2)C1
InChIInChI=1S/C17H35N3O2S/c1-6-9-23(21,22)18-12-14-7-8-20(13-14)15-10-16(2,3)19-17(4,5)11-15/h14-15,18-19H,6-13H2,1-5H3
InChIKeyAYRAAIOKJHJAQT-UHFFFAOYSA-N
MW345.55 g/mol
LogP1.95
Rot. Bonds6

About N-[[1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidin-3-yl]methyl]propane-1-sulfonamide

N-[[1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidin-3-yl]methyl]propane-1-sulfonamide (PubChem CID 56756103) has the molecular formula C17H35N3O2S and a molecular weight of 345.55 g/mol. Its IUPAC name is N-[[1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidin-3-yl]methyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[[1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidin-3-yl]methyl]propane-1-sulfonamide
PubChem CID56756103
Molecular FormulaC17H35N3O2S
Molecular Weight345.55 g/mol
Exact Mass345.24
IUPAC NameN-[[1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidin-3-yl]methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCC1CCN(C2CC(C)(C)NC(C)(C)C2)C1
InChIInChI=1S/C17H35N3O2S/c1-6-9-23(21,22)18-12-14-7-8-20(13-14)15-10-16(2,3)19-17(4,5)11-15/h14-15,18-19H,6-13H2,1-5H3
InChIKeyAYRAAIOKJHJAQT-UHFFFAOYSA-N
XLogP1.95
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.55
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidin-3-yl]methyl]propane-1-sulfonamide?
The IUPAC name of N-[[1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidin-3-yl]methyl]propane-1-sulfonamide (CID 56756103) is N-[[1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidin-3-yl]methyl]propane-1-sulfonamide.
What is the SMILES notation for N-[[1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidin-3-yl]methyl]propane-1-sulfonamide?
The canonical SMILES for N-[[1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidin-3-yl]methyl]propane-1-sulfonamide is CCCS(=O)(=O)NCC1CCN(C2CC(C)(C)NC(C)(C)C2)C1.
What is the InChIKey of N-[[1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidin-3-yl]methyl]propane-1-sulfonamide?
The InChIKey is AYRAAIOKJHJAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O2S/c1-6-9-23(21,22)18-12-14-7-8-20(13-14)15-10-16(2,3)19-17(4,5)11-15/h14-15,18-19H,6-13H2,1-5H3.
What are the key properties of N-[[1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidin-3-yl]methyl]propane-1-sulfonamide?
N-[[1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidin-3-yl]methyl]propane-1-sulfonamide has a molecular weight of 345.55 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidin-3-yl]methyl]propane-1-sulfonamide is sourced from PubChem (CID 56756103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).