N-(cyclooctylmethyl)-2-pyridin-2-ylethanesulfonamide

C16H26N2O2S — CID 75493544

IUPACN-(cyclooctylmethyl)-2-pyridin-2-ylethanesulfonamide
SMILESO=S(=O)(CCc1ccccn1)NCC1CCCCCCC1
InChIInChI=1S/C16H26N2O2S/c19-21(20,13-11-16-10-6-7-12-17-16)18-14-15-8-4-2-1-3-5-9-15/h6-7,10,12,15,18H,1-5,8-9,11,13-14H2
InChIKeyOQHCGWAWFNTDDA-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.90
Rot. Bonds6

About N-(cyclooctylmethyl)-2-pyridin-2-ylethanesulfonamide

N-(cyclooctylmethyl)-2-pyridin-2-ylethanesulfonamide (PubChem CID 75493544) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is N-(cyclooctylmethyl)-2-pyridin-2-ylethanesulfonamide.

Molecular Properties

Compound NameN-(cyclooctylmethyl)-2-pyridin-2-ylethanesulfonamide
PubChem CID75493544
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC NameN-(cyclooctylmethyl)-2-pyridin-2-ylethanesulfonamide
SMILESO=S(=O)(CCc1ccccn1)NCC1CCCCCCC1
InChIInChI=1S/C16H26N2O2S/c19-21(20,13-11-16-10-6-7-12-17-16)18-14-15-8-4-2-1-3-5-9-15/h6-7,10,12,15,18H,1-5,8-9,11,13-14H2
InChIKeyOQHCGWAWFNTDDA-UHFFFAOYSA-N
XLogP2.90
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1-[2-(cyclobutylmethylsulfamoyl)ethyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine
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2-pyridin-2-yl-N-(2-pyrrolidin-2-ylethyl)ethanesulfonamide
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N-(morpholin-3-ylmethyl)-2-pyridin-2-ylethanesulfonamide
CID 103548911
N-(2-bromocyclopentyl)-2-pyridin-2-ylethanesulfonamide
CID 80662740
1-cyclohexyl-4-pyridin-2-ylbutan-2-one
CID 105089148
N-(3-phenylpropyl)-2-pyridin-2-ylethanesulfonamide
CID 74224453
N-[2-(chloromethyl)cyclopentyl]-2-pyridin-2-ylethanesulfonamide
CID 114179778
2-(cyclohexylmethyl)pyridine
CID 14762660
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Frequently Asked Questions

What is the IUPAC name of N-(cyclooctylmethyl)-2-pyridin-2-ylethanesulfonamide?
The IUPAC name of N-(cyclooctylmethyl)-2-pyridin-2-ylethanesulfonamide (CID 75493544) is N-(cyclooctylmethyl)-2-pyridin-2-ylethanesulfonamide.
What is the SMILES notation for N-(cyclooctylmethyl)-2-pyridin-2-ylethanesulfonamide?
The canonical SMILES for N-(cyclooctylmethyl)-2-pyridin-2-ylethanesulfonamide is O=S(=O)(CCc1ccccn1)NCC1CCCCCCC1.
What is the InChIKey of N-(cyclooctylmethyl)-2-pyridin-2-ylethanesulfonamide?
The InChIKey is OQHCGWAWFNTDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c19-21(20,13-11-16-10-6-7-12-17-16)18-14-15-8-4-2-1-3-5-9-15/h6-7,10,12,15,18H,1-5,8-9,11,13-14H2.
What are the key properties of N-(cyclooctylmethyl)-2-pyridin-2-ylethanesulfonamide?
N-(cyclooctylmethyl)-2-pyridin-2-ylethanesulfonamide has a molecular weight of 310.46 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclooctylmethyl)-2-pyridin-2-ylethanesulfonamide is sourced from PubChem (CID 75493544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).