N-undecan-6-ylmethanesulfonamide

C12H27NO2S — CID 54511279

IUPACN-undecan-6-ylmethanesulfonamide
SMILESCCCCCC(CCCCC)NS(C)(=O)=O
InChIInChI=1S/C12H27NO2S/c1-4-6-8-10-12(11-9-7-5-2)13-16(3,14)15/h12-13H,4-11H2,1-3H3
InChIKeyYJHHOISZDGOEDY-UHFFFAOYSA-N
MW249.42 g/mol
LogP3.06
Rot. Bonds10

About N-undecan-6-ylmethanesulfonamide

N-undecan-6-ylmethanesulfonamide (PubChem CID 54511279) has the molecular formula C12H27NO2S and a molecular weight of 249.42 g/mol. Its IUPAC name is N-undecan-6-ylmethanesulfonamide.

Molecular Properties

Compound NameN-undecan-6-ylmethanesulfonamide
PubChem CID54511279
Molecular FormulaC12H27NO2S
Molecular Weight249.42 g/mol
Exact Mass249.18
IUPAC NameN-undecan-6-ylmethanesulfonamide
SMILESCCCCCC(CCCCC)NS(C)(=O)=O
InChIInChI=1S/C12H27NO2S/c1-4-6-8-10-12(11-9-7-5-2)13-16(3,14)15/h12-13H,4-11H2,1-3H3
InChIKeyYJHHOISZDGOEDY-UHFFFAOYSA-N
XLogP3.06
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 53.06
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-undecan-6-ylmethanesulfonamide?
The IUPAC name of N-undecan-6-ylmethanesulfonamide (CID 54511279) is N-undecan-6-ylmethanesulfonamide.
What is the SMILES notation for N-undecan-6-ylmethanesulfonamide?
The canonical SMILES for N-undecan-6-ylmethanesulfonamide is CCCCCC(CCCCC)NS(C)(=O)=O.
What is the InChIKey of N-undecan-6-ylmethanesulfonamide?
The InChIKey is YJHHOISZDGOEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2S/c1-4-6-8-10-12(11-9-7-5-2)13-16(3,14)15/h12-13H,4-11H2,1-3H3.
What are the key properties of N-undecan-6-ylmethanesulfonamide?
N-undecan-6-ylmethanesulfonamide has a molecular weight of 249.42 g/mol, XLogP of 3.06, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-undecan-6-ylmethanesulfonamide is sourced from PubChem (CID 54511279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).