N-[1-(aminomethyl)cyclooctyl]methanesulfonamide

C10H22N2O2S — CID 28940644

IUPACN-[1-(aminomethyl)cyclooctyl]methanesulfonamide
SMILESCS(=O)(=O)NC1(CN)CCCCCCC1
InChIInChI=1S/C10H22N2O2S/c1-15(13,14)12-10(9-11)7-5-3-2-4-6-8-10/h12H,2-9,11H2,1H3
InChIKeyHCSWQJBBLPAVRB-UHFFFAOYSA-N
MW234.36 g/mol
LogP0.98
Rot. Bonds3

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

N-[1-(aminomethyl)cyclooctyl]methanesulfonamide (PubChem CID 28940644) has the molecular formula C10H22N2O2S and a molecular weight of 234.36 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclooctyl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclooctyl]methanesulfonamide
PubChem CID28940644
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC NameN-[1-(aminomethyl)cyclooctyl]methanesulfonamide
SMILESCS(=O)(=O)NC1(CN)CCCCCCC1
InChIInChI=1S/C10H22N2O2S/c1-15(13,14)12-10(9-11)7-5-3-2-4-6-8-10/h12H,2-9,11H2,1H3
InChIKeyHCSWQJBBLPAVRB-UHFFFAOYSA-N
XLogP0.98
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(aminomethyl)cyclohexyl]methanesulfonamide
CID 16227899
N-[1-(aminomethyl)cyclooctyl]-1,1-difluoromethanesulfonamide
CID 28940620
N-[1-(aminomethyl)cyclooctyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83047749
N-(6-ethyloctan-2-yl)methanesulfonamide
CID 23573810
N-[1-(aminomethyl)cycloheptyl]methanesulfonamide
CID 28940684
N-[(1-aminocyclohexyl)methyl]methanesulfonamide
CID 43598238
N-(6-amino-2-ethylheptyl)methanesulfonamide
CID 118909031
N-[(2R)-2-amino-2-methylhexyl]methanesulfonamide
CID 122599140
N-(5-methylundecyl)methanesulfonamide
CID 130291244
N-(5-methylundecan-5-yl)methanesulfonamide
CID 130356050
N-(2-amino-2-methylhexyl)methanesulfonamide
CID 146588034
N-(6-ethyloctan-2-yl)methanesulfonamide;methane
CID 159399996

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclooctyl]methanesulfonamide?
The IUPAC name of N-[1-(aminomethyl)cyclooctyl]methanesulfonamide (CID 28940644) is N-[1-(aminomethyl)cyclooctyl]methanesulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclooctyl]methanesulfonamide?
The canonical SMILES for N-[1-(aminomethyl)cyclooctyl]methanesulfonamide is CS(=O)(=O)NC1(CN)CCCCCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclooctyl]methanesulfonamide?
The InChIKey is HCSWQJBBLPAVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S/c1-15(13,14)12-10(9-11)7-5-3-2-4-6-8-10/h12H,2-9,11H2,1H3.
What are the key properties of N-[1-(aminomethyl)cyclooctyl]methanesulfonamide?
N-[1-(aminomethyl)cyclooctyl]methanesulfonamide has a molecular weight of 234.36 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclooctyl]methanesulfonamide is sourced from PubChem (CID 28940644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).