N-(8-aminooctyl)methanesulfonamide

C9H22N2O2S — CID 14484869

IUPACN-(8-aminooctyl)methanesulfonamide
SMILESCS(=O)(=O)NCCCCCCCCN
InChIInChI=1S/C9H22N2O2S/c1-14(12,13)11-9-7-5-3-2-4-6-8-10/h11H,2-10H2,1H3
InChIKeyKJHSAWIVYYPQBP-UHFFFAOYSA-N
MW222.35 g/mol
LogP0.83
Rot. Bonds9

About N-(8-aminooctyl)methanesulfonamide

N-(8-aminooctyl)methanesulfonamide (PubChem CID 14484869) has the molecular formula C9H22N2O2S and a molecular weight of 222.35 g/mol. Its IUPAC name is N-(8-aminooctyl)methanesulfonamide.

Molecular Properties

Compound NameN-(8-aminooctyl)methanesulfonamide
PubChem CID14484869
Molecular FormulaC9H22N2O2S
Molecular Weight222.35 g/mol
Exact Mass222.14
IUPAC NameN-(8-aminooctyl)methanesulfonamide
SMILESCS(=O)(=O)NCCCCCCCCN
InChIInChI=1S/C9H22N2O2S/c1-14(12,13)11-9-7-5-3-2-4-6-8-10/h11H,2-10H2,1H3
InChIKeyKJHSAWIVYYPQBP-UHFFFAOYSA-N
XLogP0.83
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.35
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-{6-[(methylsulfonyl)amino]hexyl}methanesulfonamide
CID 1752606
N,N''-(octane-1,8-diyl)dipropane-2-sulfonamide
CID 10155236
N,N''-(nonane-1,9-diyl)dipropane-2-sulfonamide
CID 10270530
N,N''-(heptane-1,7-diyl)dipropane-2-sulfonamide
CID 9902629
N-dodecylmethanesulfonamide
CID 4079648
N-(6-aminohexyl)methanesulfonamide
CID 14484867
N-tetradecylsulfamide
CID 16103196
N-(12-aminododecyl)hexadecane-1-sulfonamide
CID 16109577
1-(Sulfamoylamino)dodecane
CID 44418905
1-(Sulfamoylamino)decane
CID 53775568
N-dodecyl-1,1,1-trifluoromethanesulfonamide
CID 87227510
N-cyclooctylmethanesulfonamide
CID 2930737

Frequently Asked Questions

What is the IUPAC name of N-(8-aminooctyl)methanesulfonamide?
The IUPAC name of N-(8-aminooctyl)methanesulfonamide (CID 14484869) is N-(8-aminooctyl)methanesulfonamide.
What is the SMILES notation for N-(8-aminooctyl)methanesulfonamide?
The canonical SMILES for N-(8-aminooctyl)methanesulfonamide is CS(=O)(=O)NCCCCCCCCN.
What is the InChIKey of N-(8-aminooctyl)methanesulfonamide?
The InChIKey is KJHSAWIVYYPQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O2S/c1-14(12,13)11-9-7-5-3-2-4-6-8-10/h11H,2-10H2,1H3.
What are the key properties of N-(8-aminooctyl)methanesulfonamide?
N-(8-aminooctyl)methanesulfonamide has a molecular weight of 222.35 g/mol, XLogP of 0.83, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-aminooctyl)methanesulfonamide is sourced from PubChem (CID 14484869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).