N-(5-methylundecan-5-yl)methanesulfonamide

C13H29NO2S — CID 130356050

IUPACN-(5-methylundecan-5-yl)methanesulfonamide
SMILESCCCCCCC(C)(CCCC)NS(C)(=O)=O
InChIInChI=1S/C13H29NO2S/c1-5-7-9-10-12-13(3,11-8-6-2)14-17(4,15)16/h14H,5-12H2,1-4H3
InChIKeyDLBJPBQVBHAIJR-UHFFFAOYSA-N
MW263.45 g/mol
LogP3.45
Rot. Bonds10

About N-(5-methylundecan-5-yl)methanesulfonamide

N-(5-methylundecan-5-yl)methanesulfonamide (PubChem CID 130356050) has the molecular formula C13H29NO2S and a molecular weight of 263.45 g/mol. Its IUPAC name is N-(5-methylundecan-5-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(5-methylundecan-5-yl)methanesulfonamide
PubChem CID130356050
Molecular FormulaC13H29NO2S
Molecular Weight263.45 g/mol
Exact Mass263.19
IUPAC NameN-(5-methylundecan-5-yl)methanesulfonamide
SMILESCCCCCCC(C)(CCCC)NS(C)(=O)=O
InChIInChI=1S/C13H29NO2S/c1-5-7-9-10-12-13(3,11-8-6-2)14-17(4,15)16/h14H,5-12H2,1-4H3
InChIKeyDLBJPBQVBHAIJR-UHFFFAOYSA-N
XLogP3.45
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.45
LogP ≤ 53.45
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-methylundecan-5-yl)methanesulfonamide?
The IUPAC name of N-(5-methylundecan-5-yl)methanesulfonamide (CID 130356050) is N-(5-methylundecan-5-yl)methanesulfonamide.
What is the SMILES notation for N-(5-methylundecan-5-yl)methanesulfonamide?
The canonical SMILES for N-(5-methylundecan-5-yl)methanesulfonamide is CCCCCCC(C)(CCCC)NS(C)(=O)=O.
What is the InChIKey of N-(5-methylundecan-5-yl)methanesulfonamide?
The InChIKey is DLBJPBQVBHAIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO2S/c1-5-7-9-10-12-13(3,11-8-6-2)14-17(4,15)16/h14H,5-12H2,1-4H3.
What are the key properties of N-(5-methylundecan-5-yl)methanesulfonamide?
N-(5-methylundecan-5-yl)methanesulfonamide has a molecular weight of 263.45 g/mol, XLogP of 3.45, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylundecan-5-yl)methanesulfonamide is sourced from PubChem (CID 130356050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).