N-ethyl-N-nonylmethanesulfonamide

C12H27NO2S — CID 91715477

IUPACN-ethyl-N-nonylmethanesulfonamide
SMILESCCCCCCCCCN(CC)S(C)(=O)=O
InChIInChI=1S/C12H27NO2S/c1-4-6-7-8-9-10-11-12-13(5-2)16(3,14)15/h4-12H2,1-3H3
InChIKeyVVBKVSIUOPYGQW-UHFFFAOYSA-N
MW249.42 g/mol
LogP3.02
Rot. Bonds10

About N-ethyl-N-nonylmethanesulfonamide

N-ethyl-N-nonylmethanesulfonamide (PubChem CID 91715477) has the molecular formula C12H27NO2S and a molecular weight of 249.42 g/mol. Its IUPAC name is N-ethyl-N-nonylmethanesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-nonylmethanesulfonamide
PubChem CID91715477
Molecular FormulaC12H27NO2S
Molecular Weight249.42 g/mol
Exact Mass249.18
IUPAC NameN-ethyl-N-nonylmethanesulfonamide
SMILESCCCCCCCCCN(CC)S(C)(=O)=O
InChIInChI=1S/C12H27NO2S/c1-4-6-7-8-9-10-11-12-13(5-2)16(3,14)15/h4-12H2,1-3H3
InChIKeyVVBKVSIUOPYGQW-UHFFFAOYSA-N
XLogP3.02
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-nonylmethanesulfonamide?
The IUPAC name of N-ethyl-N-nonylmethanesulfonamide (CID 91715477) is N-ethyl-N-nonylmethanesulfonamide.
What is the SMILES notation for N-ethyl-N-nonylmethanesulfonamide?
The canonical SMILES for N-ethyl-N-nonylmethanesulfonamide is CCCCCCCCCN(CC)S(C)(=O)=O.
What is the InChIKey of N-ethyl-N-nonylmethanesulfonamide?
The InChIKey is VVBKVSIUOPYGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2S/c1-4-6-7-8-9-10-11-12-13(5-2)16(3,14)15/h4-12H2,1-3H3.
What are the key properties of N-ethyl-N-nonylmethanesulfonamide?
N-ethyl-N-nonylmethanesulfonamide has a molecular weight of 249.42 g/mol, XLogP of 3.02, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-nonylmethanesulfonamide is sourced from PubChem (CID 91715477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).