N-(3,3-dimethylundecyl)methanesulfonamide

C14H31NO2S — CID 90243120

IUPACN-(3,3-dimethylundecyl)methanesulfonamide
SMILESCCCCCCCCC(C)(C)CCNS(C)(=O)=O
InChIInChI=1S/C14H31NO2S/c1-5-6-7-8-9-10-11-14(2,3)12-13-15-18(4,16)17/h15H,5-13H2,1-4H3
InChIKeyVOLVZNVBAIPWQL-UHFFFAOYSA-N
MW277.47 g/mol
LogP3.70
Rot. Bonds11

About N-(3,3-dimethylundecyl)methanesulfonamide

N-(3,3-dimethylundecyl)methanesulfonamide (PubChem CID 90243120) has the molecular formula C14H31NO2S and a molecular weight of 277.47 g/mol. Its IUPAC name is N-(3,3-dimethylundecyl)methanesulfonamide.

Molecular Properties

Compound NameN-(3,3-dimethylundecyl)methanesulfonamide
PubChem CID90243120
Molecular FormulaC14H31NO2S
Molecular Weight277.47 g/mol
Exact Mass277.21
IUPAC NameN-(3,3-dimethylundecyl)methanesulfonamide
SMILESCCCCCCCCC(C)(C)CCNS(C)(=O)=O
InChIInChI=1S/C14H31NO2S/c1-5-6-7-8-9-10-11-14(2,3)12-13-15-18(4,16)17/h15H,5-13H2,1-4H3
InChIKeyVOLVZNVBAIPWQL-UHFFFAOYSA-N
XLogP3.70
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.47
LogP ≤ 53.70
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-(3,3-dimethylundecyl)methanesulfonamide?
The IUPAC name of N-(3,3-dimethylundecyl)methanesulfonamide (CID 90243120) is N-(3,3-dimethylundecyl)methanesulfonamide.
What is the SMILES notation for N-(3,3-dimethylundecyl)methanesulfonamide?
The canonical SMILES for N-(3,3-dimethylundecyl)methanesulfonamide is CCCCCCCCC(C)(C)CCNS(C)(=O)=O.
What is the InChIKey of N-(3,3-dimethylundecyl)methanesulfonamide?
The InChIKey is VOLVZNVBAIPWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO2S/c1-5-6-7-8-9-10-11-14(2,3)12-13-15-18(4,16)17/h15H,5-13H2,1-4H3.
What are the key properties of N-(3,3-dimethylundecyl)methanesulfonamide?
N-(3,3-dimethylundecyl)methanesulfonamide has a molecular weight of 277.47 g/mol, XLogP of 3.70, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylundecyl)methanesulfonamide is sourced from PubChem (CID 90243120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).