N-[1-(aminomethyl)cyclooctyl]-1-(oxolan-2-yl)methanesulfonamide

C14H28N2O3S — CID 63246417

IUPACN-[1-(aminomethyl)cyclooctyl]-1-(oxolan-2-yl)methanesulfonamide
SMILESNCC1(NS(=O)(=O)CC2CCCO2)CCCCCCC1
InChIInChI=1S/C14H28N2O3S/c15-12-14(8-4-2-1-3-5-9-14)16-20(17,18)11-13-7-6-10-19-13/h13,16H,1-12,15H2
InChIKeyIGROGXAZPZQDJU-UHFFFAOYSA-N
MW304.46 g/mol
LogP1.53
Rot. Bonds5

About N-[1-(aminomethyl)cyclooctyl]-1-(oxolan-2-yl)methanesulfonamide

N-[1-(aminomethyl)cyclooctyl]-1-(oxolan-2-yl)methanesulfonamide (PubChem CID 63246417) has the molecular formula C14H28N2O3S and a molecular weight of 304.46 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclooctyl]-1-(oxolan-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclooctyl]-1-(oxolan-2-yl)methanesulfonamide
PubChem CID63246417
Molecular FormulaC14H28N2O3S
Molecular Weight304.46 g/mol
Exact Mass304.18
IUPAC NameN-[1-(aminomethyl)cyclooctyl]-1-(oxolan-2-yl)methanesulfonamide
SMILESNCC1(NS(=O)(=O)CC2CCCO2)CCCCCCC1
InChIInChI=1S/C14H28N2O3S/c15-12-14(8-4-2-1-3-5-9-14)16-20(17,18)11-13-7-6-10-19-13/h13,16H,1-12,15H2
InChIKeyIGROGXAZPZQDJU-UHFFFAOYSA-N
XLogP1.53
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(aminomethyl)cyclooctyl]-2-methoxyethanesulfonamide
CID 55009780
N-[(1-aminocycloheptyl)methyl]-1-(oxolan-2-yl)methanesulfonamide
CID 55174512
N-(2-amino-1-cyclohexylethyl)-1-(oxolan-2-yl)methanesulfonamide
CID 55174883
N-[1-(aminomethyl)cyclooctyl]oxane-4-sulfonamide
CID 62048059
N-[1-(aminomethyl)cyclooctyl]-2-ethoxyethanesulfonamide
CID 63245894
N-[1-(aminomethyl)cyclohexyl]-1-(oxolan-2-yl)methanesulfonamide
CID 63246375
N-[1-(aminomethyl)cyclopentyl]-1-(oxolan-2-yl)methanesulfonamide
CID 63246416
N-[3-(aminomethyl)pentan-3-yl]-1-(oxolan-2-yl)methanesulfonamide
CID 63246420
N-[1-(aminomethyl)cycloheptyl]-1-(oxolan-2-yl)methanesulfonamide
CID 63246458
N-[1-(aminomethyl)-4-methylcyclohexyl]-1-(oxolan-2-yl)methanesulfonamide
CID 63246459
N-[1-(aminomethyl)-4-ethylcyclohexyl]-1-(oxolan-2-yl)methanesulfonamide
CID 63246460
N-[1-(aminomethyl)cycloheptyl]-N-methyl-1-(oxolan-2-yl)methanesulfonamide
CID 63246742

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclooctyl]-1-(oxolan-2-yl)methanesulfonamide?
The IUPAC name of N-[1-(aminomethyl)cyclooctyl]-1-(oxolan-2-yl)methanesulfonamide (CID 63246417) is N-[1-(aminomethyl)cyclooctyl]-1-(oxolan-2-yl)methanesulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclooctyl]-1-(oxolan-2-yl)methanesulfonamide?
The canonical SMILES for N-[1-(aminomethyl)cyclooctyl]-1-(oxolan-2-yl)methanesulfonamide is NCC1(NS(=O)(=O)CC2CCCO2)CCCCCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclooctyl]-1-(oxolan-2-yl)methanesulfonamide?
The InChIKey is IGROGXAZPZQDJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3S/c15-12-14(8-4-2-1-3-5-9-14)16-20(17,18)11-13-7-6-10-19-13/h13,16H,1-12,15H2.
What are the key properties of N-[1-(aminomethyl)cyclooctyl]-1-(oxolan-2-yl)methanesulfonamide?
N-[1-(aminomethyl)cyclooctyl]-1-(oxolan-2-yl)methanesulfonamide has a molecular weight of 304.46 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclooctyl]-1-(oxolan-2-yl)methanesulfonamide is sourced from PubChem (CID 63246417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).