N-[1-(aminomethyl)cyclooctyl]-1-cyclopropylmethanesulfonamide

C13H26N2O2S — CID 64989622

IUPACN-[1-(aminomethyl)cyclooctyl]-1-cyclopropylmethanesulfonamide
SMILESNCC1(NS(=O)(=O)CC2CC2)CCCCCCC1
InChIInChI=1S/C13H26N2O2S/c14-11-13(8-4-2-1-3-5-9-13)15-18(16,17)10-12-6-7-12/h12,15H,1-11,14H2
InChIKeyQVDRIBOKJWPUPP-UHFFFAOYSA-N
MW274.43 g/mol
LogP1.76
Rot. Bonds5

About N-[1-(aminomethyl)cyclooctyl]-1-cyclopropylmethanesulfonamide

N-[1-(aminomethyl)cyclooctyl]-1-cyclopropylmethanesulfonamide (PubChem CID 64989622) has the molecular formula C13H26N2O2S and a molecular weight of 274.43 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclooctyl]-1-cyclopropylmethanesulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclooctyl]-1-cyclopropylmethanesulfonamide
PubChem CID64989622
Molecular FormulaC13H26N2O2S
Molecular Weight274.43 g/mol
Exact Mass274.17
IUPAC NameN-[1-(aminomethyl)cyclooctyl]-1-cyclopropylmethanesulfonamide
SMILESNCC1(NS(=O)(=O)CC2CC2)CCCCCCC1
InChIInChI=1S/C13H26N2O2S/c14-11-13(8-4-2-1-3-5-9-13)15-18(16,17)10-12-6-7-12/h12,15H,1-11,14H2
InChIKeyQVDRIBOKJWPUPP-UHFFFAOYSA-N
XLogP1.76
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(aminomethyl)-3-methylcyclohexyl]-1-cyclopropylmethanesulfonamide
CID 64989375
N-[1-(bromomethyl)cyclopentyl]-1-cyclopropylmethanesulfonamide
CID 114297143
N-[1-(bromomethyl)cyclopentyl]-1-cyclohexylmethanesulfonamide
CID 113271630
N-[1-(aminomethyl)cyclooctyl]cyclohexanesulfonamide
CID 61065631
N-[1-(aminomethyl)cycloheptyl]butane-1-sulfonamide
CID 28940678
N-[1-(aminomethyl)cyclohexyl]butane-1-sulfonamide
CID 28940496
1-(aminomethyl)-N-(cyclopropylsulfamoyl)cyclopentan-1-amine
CID 114803346
1-(cyclopropylmethylsulfonylamino)-N'-hydroxycyclooctane-1-carboximidamide
CID 77052442
N-[1-(aminomethyl)cyclohexyl]-3,3-dimethylbutane-1-sulfonamide
CID 103520688
1-(aminomethyl)-N-(methylsulfamoyl)cycloheptan-1-amine
CID 114803362
1-(aminomethyl)-4-ethyl-1-(sulfamoylamino)cyclohexane
CID 28940754
N-[4-(aminomethyl)oxan-4-yl]-1-(oxolan-2-yl)methanesulfonamide
CID 114170083

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclooctyl]-1-cyclopropylmethanesulfonamide?
The IUPAC name of N-[1-(aminomethyl)cyclooctyl]-1-cyclopropylmethanesulfonamide (CID 64989622) is N-[1-(aminomethyl)cyclooctyl]-1-cyclopropylmethanesulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclooctyl]-1-cyclopropylmethanesulfonamide?
The canonical SMILES for N-[1-(aminomethyl)cyclooctyl]-1-cyclopropylmethanesulfonamide is NCC1(NS(=O)(=O)CC2CC2)CCCCCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclooctyl]-1-cyclopropylmethanesulfonamide?
The InChIKey is QVDRIBOKJWPUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2S/c14-11-13(8-4-2-1-3-5-9-13)15-18(16,17)10-12-6-7-12/h12,15H,1-11,14H2.
What are the key properties of N-[1-(aminomethyl)cyclooctyl]-1-cyclopropylmethanesulfonamide?
N-[1-(aminomethyl)cyclooctyl]-1-cyclopropylmethanesulfonamide has a molecular weight of 274.43 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclooctyl]-1-cyclopropylmethanesulfonamide is sourced from PubChem (CID 64989622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).