N-(6-ethyloctan-2-yl)methanesulfonamide;methane

C12H29NO2S — CID 159399996

IUPACN-(6-ethyloctan-2-yl)methanesulfonamide;methane
SMILESC.CCC(CC)CCCC(C)NS(C)(=O)=O
InChIInChI=1S/C11H25NO2S.CH4/c1-5-11(6-2)9-7-8-10(3)12-15(4,13)14;/h10-12H,5-9H2,1-4H3;1H4
InChIKeyLNFIXVLSSIYVOF-UHFFFAOYSA-N
MW251.44 g/mol
LogP3.17
Rot. Bonds8

About N-(6-ethyloctan-2-yl)methanesulfonamide;methane

N-(6-ethyloctan-2-yl)methanesulfonamide;methane (PubChem CID 159399996) has the molecular formula C12H29NO2S and a molecular weight of 251.44 g/mol. Its IUPAC name is N-(6-ethyloctan-2-yl)methanesulfonamide;methane.

Molecular Properties

Compound NameN-(6-ethyloctan-2-yl)methanesulfonamide;methane
PubChem CID159399996
Molecular FormulaC12H29NO2S
Molecular Weight251.44 g/mol
Exact Mass251.19
IUPAC NameN-(6-ethyloctan-2-yl)methanesulfonamide;methane
SMILESC.CCC(CC)CCCC(C)NS(C)(=O)=O
InChIInChI=1S/C11H25NO2S.CH4/c1-5-11(6-2)9-7-8-10(3)12-15(4,13)14;/h10-12H,5-9H2,1-4H3;1H4
InChIKeyLNFIXVLSSIYVOF-UHFFFAOYSA-N
XLogP3.17
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.44
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Methanesulfonamide, N-(4-(cyclohexylmethyl)-1-cyclohexyl)-
CID 3025226
N-(cyclohexylmethyl)methanesulfonamide
CID 19684282
N-(2-ethylhexyl)methanesulfonamide
CID 5176352
N-(2-cyclohexylcyclopropyl)methanesulfonamide
CID 71997365
1-cyclohexyl-N-[(2S)-5-methylhexan-2-yl]methanesulfonamide
CID 95733766
N-(6-amino-2-ethylheptyl)-1,1,1-trifluoromethanesulfonamide
CID 121432266
(3R,4S)-3-butyl-4-(2-methylpropyl)thiazetidine 1,1-dioxide
CID 101744742
N-[(3S)-3-ethylcycloheptyl]-2-methylpropane-2-sulfonamide
CID 134966542
1,1,1-trifluoro-N-(2-methylcycloheptyl)methanesulfonamide
CID 143893294
N-(5-methylhexan-2-yl)propane-2-sulfonamide
CID 61361229
N-(6-methylheptan-2-yl)methanesulfonamide
CID 2916151
N-(2-cycloheptylethyl)methanesulfonamide
CID 17617094

Frequently Asked Questions

What is the IUPAC name of N-(6-ethyloctan-2-yl)methanesulfonamide;methane?
The IUPAC name of N-(6-ethyloctan-2-yl)methanesulfonamide;methane (CID 159399996) is N-(6-ethyloctan-2-yl)methanesulfonamide;methane.
What is the SMILES notation for N-(6-ethyloctan-2-yl)methanesulfonamide;methane?
The canonical SMILES for N-(6-ethyloctan-2-yl)methanesulfonamide;methane is C.CCC(CC)CCCC(C)NS(C)(=O)=O.
What is the InChIKey of N-(6-ethyloctan-2-yl)methanesulfonamide;methane?
The InChIKey is LNFIXVLSSIYVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2S.CH4/c1-5-11(6-2)9-7-8-10(3)12-15(4,13)14;/h10-12H,5-9H2,1-4H3;1H4.
What are the key properties of N-(6-ethyloctan-2-yl)methanesulfonamide;methane?
N-(6-ethyloctan-2-yl)methanesulfonamide;methane has a molecular weight of 251.44 g/mol, XLogP of 3.17, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethyloctan-2-yl)methanesulfonamide;methane is sourced from PubChem (CID 159399996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).