N-[2-(1,3-benzoxazol-2-yl)ethyl]piperidine-1-sulfonamide

C14H19N3O3S — CID 125419022

IUPACN-[2-(1,3-benzoxazol-2-yl)ethyl]piperidine-1-sulfonamide
SMILESO=S(=O)(NCCc1nc2ccccc2o1)N1CCCCC1
InChIInChI=1S/C14H19N3O3S/c18-21(19,17-10-4-1-5-11-17)15-9-8-14-16-12-6-2-3-7-13(12)20-14/h2-3,6-7,15H,1,4-5,8-11H2
InChIKeyOKJTULBRFSIWAU-UHFFFAOYSA-N
MW309.39 g/mol
LogP1.69
Rot. Bonds5

About N-[2-(1,3-benzoxazol-2-yl)ethyl]piperidine-1-sulfonamide

N-[2-(1,3-benzoxazol-2-yl)ethyl]piperidine-1-sulfonamide (PubChem CID 125419022) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is N-[2-(1,3-benzoxazol-2-yl)ethyl]piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(1,3-benzoxazol-2-yl)ethyl]piperidine-1-sulfonamide
PubChem CID125419022
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC NameN-[2-(1,3-benzoxazol-2-yl)ethyl]piperidine-1-sulfonamide
SMILESO=S(=O)(NCCc1nc2ccccc2o1)N1CCCCC1
InChIInChI=1S/C14H19N3O3S/c18-21(19,17-10-4-1-5-11-17)15-9-8-14-16-12-6-2-3-7-13(12)20-14/h2-3,6-7,15H,1,4-5,8-11H2
InChIKeyOKJTULBRFSIWAU-UHFFFAOYSA-N
XLogP1.69
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methylbenzoxazole
CID 7225
L 696229
CID 72352
2-(3-Pyridyl)benzoxazole
CID 16803
2-(Piperazin-1-yl)-1,3-benzoxazole
CID 647818
3,3'-Diethyloxacarbocyanine iodide
CID 6538326
3,3'-Diethyloxadicarbocyanine iodide
CID 5702692
L 696040
CID 131887
Benzoxazolium, 3-ethyl-2-methyl-, iodide (1:1)
CID 21331
Benzoxazole, 2-ethyl-
CID 23239
1,3-Benzoxazole-2-carbonitrile
CID 11147793
3-((7-Methyl-Benzoxazol-2-ylmethyl)amino)-5-ethyl-6-methlpyridin-2(1H)-one
CID 453443
2(1H)-Pyridinone, 5-ethyl-3-(((4-fluoro-2-benzoxazolyl)methyl)amino)-6-methyl-
CID 454408

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzoxazol-2-yl)ethyl]piperidine-1-sulfonamide?
The IUPAC name of N-[2-(1,3-benzoxazol-2-yl)ethyl]piperidine-1-sulfonamide (CID 125419022) is N-[2-(1,3-benzoxazol-2-yl)ethyl]piperidine-1-sulfonamide.
What is the SMILES notation for N-[2-(1,3-benzoxazol-2-yl)ethyl]piperidine-1-sulfonamide?
The canonical SMILES for N-[2-(1,3-benzoxazol-2-yl)ethyl]piperidine-1-sulfonamide is O=S(=O)(NCCc1nc2ccccc2o1)N1CCCCC1.
What is the InChIKey of N-[2-(1,3-benzoxazol-2-yl)ethyl]piperidine-1-sulfonamide?
The InChIKey is OKJTULBRFSIWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c18-21(19,17-10-4-1-5-11-17)15-9-8-14-16-12-6-2-3-7-13(12)20-14/h2-3,6-7,15H,1,4-5,8-11H2.
What are the key properties of N-[2-(1,3-benzoxazol-2-yl)ethyl]piperidine-1-sulfonamide?
N-[2-(1,3-benzoxazol-2-yl)ethyl]piperidine-1-sulfonamide has a molecular weight of 309.39 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzoxazol-2-yl)ethyl]piperidine-1-sulfonamide is sourced from PubChem (CID 125419022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).