N-(3,3-dimethyldodecyl)methanesulfonamide

C15H33NO2S — CID 90243118

IUPACN-(3,3-dimethyldodecyl)methanesulfonamide
SMILESCCCCCCCCCC(C)(C)CCNS(C)(=O)=O
InChIInChI=1S/C15H33NO2S/c1-5-6-7-8-9-10-11-12-15(2,3)13-14-16-19(4,17)18/h16H,5-14H2,1-4H3
InChIKeyWTGYOHABUDPGFC-UHFFFAOYSA-N
MW291.50 g/mol
LogP4.09
Rot. Bonds12

About N-(3,3-dimethyldodecyl)methanesulfonamide

N-(3,3-dimethyldodecyl)methanesulfonamide (PubChem CID 90243118) has the molecular formula C15H33NO2S and a molecular weight of 291.50 g/mol. Its IUPAC name is N-(3,3-dimethyldodecyl)methanesulfonamide.

Molecular Properties

Compound NameN-(3,3-dimethyldodecyl)methanesulfonamide
PubChem CID90243118
Molecular FormulaC15H33NO2S
Molecular Weight291.50 g/mol
Exact Mass291.22
IUPAC NameN-(3,3-dimethyldodecyl)methanesulfonamide
SMILESCCCCCCCCCC(C)(C)CCNS(C)(=O)=O
InChIInChI=1S/C15H33NO2S/c1-5-6-7-8-9-10-11-12-15(2,3)13-14-16-19(4,17)18/h16H,5-14H2,1-4H3
InChIKeyWTGYOHABUDPGFC-UHFFFAOYSA-N
XLogP4.09
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.50
LogP ≤ 54.09
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-dimethyldodecyl)methanesulfonamide?
The IUPAC name of N-(3,3-dimethyldodecyl)methanesulfonamide (CID 90243118) is N-(3,3-dimethyldodecyl)methanesulfonamide.
What is the SMILES notation for N-(3,3-dimethyldodecyl)methanesulfonamide?
The canonical SMILES for N-(3,3-dimethyldodecyl)methanesulfonamide is CCCCCCCCCC(C)(C)CCNS(C)(=O)=O.
What is the InChIKey of N-(3,3-dimethyldodecyl)methanesulfonamide?
The InChIKey is WTGYOHABUDPGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO2S/c1-5-6-7-8-9-10-11-12-15(2,3)13-14-16-19(4,17)18/h16H,5-14H2,1-4H3.
What are the key properties of N-(3,3-dimethyldodecyl)methanesulfonamide?
N-(3,3-dimethyldodecyl)methanesulfonamide has a molecular weight of 291.50 g/mol, XLogP of 4.09, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethyldodecyl)methanesulfonamide is sourced from PubChem (CID 90243118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).