N-(5,5,6,6-tetramethylheptyl)methanesulfonamide

C12H27NO2S — CID 20706688

IUPACN-(5,5,6,6-tetramethylheptyl)methanesulfonamide
SMILESCC(C)(C)C(C)(C)CCCCNS(C)(=O)=O
InChIInChI=1S/C12H27NO2S/c1-11(2,3)12(4,5)9-7-8-10-13-16(6,14)15/h13H,7-10H2,1-6H3
InChIKeyRGMJFWNFWHGEQJ-UHFFFAOYSA-N
MW249.42 g/mol
LogP2.78
Rot. Bonds6

About N-(5,5,6,6-tetramethylheptyl)methanesulfonamide

N-(5,5,6,6-tetramethylheptyl)methanesulfonamide (PubChem CID 20706688) has the molecular formula C12H27NO2S and a molecular weight of 249.42 g/mol. Its IUPAC name is N-(5,5,6,6-tetramethylheptyl)methanesulfonamide.

Molecular Properties

Compound NameN-(5,5,6,6-tetramethylheptyl)methanesulfonamide
PubChem CID20706688
Molecular FormulaC12H27NO2S
Molecular Weight249.42 g/mol
Exact Mass249.18
IUPAC NameN-(5,5,6,6-tetramethylheptyl)methanesulfonamide
SMILESCC(C)(C)C(C)(C)CCCCNS(C)(=O)=O
InChIInChI=1S/C12H27NO2S/c1-11(2,3)12(4,5)9-7-8-10-13-16(6,14)15/h13H,7-10H2,1-6H3
InChIKeyRGMJFWNFWHGEQJ-UHFFFAOYSA-N
XLogP2.78
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 52.78
H-Bond Donors ≤ 51
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-(5,5,6,6-tetramethylheptyl)methanesulfonamide?
The IUPAC name of N-(5,5,6,6-tetramethylheptyl)methanesulfonamide (CID 20706688) is N-(5,5,6,6-tetramethylheptyl)methanesulfonamide.
What is the SMILES notation for N-(5,5,6,6-tetramethylheptyl)methanesulfonamide?
The canonical SMILES for N-(5,5,6,6-tetramethylheptyl)methanesulfonamide is CC(C)(C)C(C)(C)CCCCNS(C)(=O)=O.
What is the InChIKey of N-(5,5,6,6-tetramethylheptyl)methanesulfonamide?
The InChIKey is RGMJFWNFWHGEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2S/c1-11(2,3)12(4,5)9-7-8-10-13-16(6,14)15/h13H,7-10H2,1-6H3.
What are the key properties of N-(5,5,6,6-tetramethylheptyl)methanesulfonamide?
N-(5,5,6,6-tetramethylheptyl)methanesulfonamide has a molecular weight of 249.42 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,5,6,6-tetramethylheptyl)methanesulfonamide is sourced from PubChem (CID 20706688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).