N-(2-hydroxy-3-methoxypropyl)-N,3,5-trimethylpiperidine-1-sulfonamide

C12H26N2O4S — CID 54999329

IUPACN-(2-hydroxy-3-methoxypropyl)-N,3,5-trimethylpiperidine-1-sulfonamide
SMILESCOCC(O)CN(C)S(=O)(=O)N1CC(C)CC(C)C1
InChIInChI=1S/C12H26N2O4S/c1-10-5-11(2)7-14(6-10)19(16,17)13(3)8-12(15)9-18-4/h10-12,15H,5-9H2,1-4H3
InChIKeyWISLKIUWYDVOAG-UHFFFAOYSA-N
MW294.42 g/mol
LogP0.15
Rot. Bonds6

About N-(2-hydroxy-3-methoxypropyl)-N,3,5-trimethylpiperidine-1-sulfonamide

N-(2-hydroxy-3-methoxypropyl)-N,3,5-trimethylpiperidine-1-sulfonamide (PubChem CID 54999329) has the molecular formula C12H26N2O4S and a molecular weight of 294.42 g/mol. Its IUPAC name is N-(2-hydroxy-3-methoxypropyl)-N,3,5-trimethylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-methoxypropyl)-N,3,5-trimethylpiperidine-1-sulfonamide
PubChem CID54999329
Molecular FormulaC12H26N2O4S
Molecular Weight294.42 g/mol
Exact Mass294.16
IUPAC NameN-(2-hydroxy-3-methoxypropyl)-N,3,5-trimethylpiperidine-1-sulfonamide
SMILESCOCC(O)CN(C)S(=O)(=O)N1CC(C)CC(C)C1
InChIInChI=1S/C12H26N2O4S/c1-10-5-11(2)7-14(6-10)19(16,17)13(3)8-12(15)9-18-4/h10-12,15H,5-9H2,1-4H3
InChIKeyWISLKIUWYDVOAG-UHFFFAOYSA-N
XLogP0.15
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-methoxypropyl)-N,3,5-trimethylpiperidine-1-sulfonamide?
The IUPAC name of N-(2-hydroxy-3-methoxypropyl)-N,3,5-trimethylpiperidine-1-sulfonamide (CID 54999329) is N-(2-hydroxy-3-methoxypropyl)-N,3,5-trimethylpiperidine-1-sulfonamide.
What is the SMILES notation for N-(2-hydroxy-3-methoxypropyl)-N,3,5-trimethylpiperidine-1-sulfonamide?
The canonical SMILES for N-(2-hydroxy-3-methoxypropyl)-N,3,5-trimethylpiperidine-1-sulfonamide is COCC(O)CN(C)S(=O)(=O)N1CC(C)CC(C)C1.
What is the InChIKey of N-(2-hydroxy-3-methoxypropyl)-N,3,5-trimethylpiperidine-1-sulfonamide?
The InChIKey is WISLKIUWYDVOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O4S/c1-10-5-11(2)7-14(6-10)19(16,17)13(3)8-12(15)9-18-4/h10-12,15H,5-9H2,1-4H3.
What are the key properties of N-(2-hydroxy-3-methoxypropyl)-N,3,5-trimethylpiperidine-1-sulfonamide?
N-(2-hydroxy-3-methoxypropyl)-N,3,5-trimethylpiperidine-1-sulfonamide has a molecular weight of 294.42 g/mol, XLogP of 0.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-methoxypropyl)-N,3,5-trimethylpiperidine-1-sulfonamide is sourced from PubChem (CID 54999329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).