N-tert-butyl-N-(2,2,4,4-tetramethylpentyl)methanesulfonamide

C14H31NO2S — CID 88980763

IUPACN-tert-butyl-N-(2,2,4,4-tetramethylpentyl)methanesulfonamide
SMILESCC(C)(C)CC(C)(C)CN(C(C)(C)C)S(C)(=O)=O
InChIInChI=1S/C14H31NO2S/c1-12(2,3)10-14(7,8)11-15(13(4,5)6)18(9,16)17/h10-11H2,1-9H3
InChIKeyDVAVPJHSPVKCTI-UHFFFAOYSA-N
MW277.47 g/mol
LogP3.51
Rot. Bonds4

About N-tert-butyl-N-(2,2,4,4-tetramethylpentyl)methanesulfonamide

N-tert-butyl-N-(2,2,4,4-tetramethylpentyl)methanesulfonamide (PubChem CID 88980763) has the molecular formula C14H31NO2S and a molecular weight of 277.47 g/mol. Its IUPAC name is N-tert-butyl-N-(2,2,4,4-tetramethylpentyl)methanesulfonamide.

Molecular Properties

Compound NameN-tert-butyl-N-(2,2,4,4-tetramethylpentyl)methanesulfonamide
PubChem CID88980763
Molecular FormulaC14H31NO2S
Molecular Weight277.47 g/mol
Exact Mass277.21
IUPAC NameN-tert-butyl-N-(2,2,4,4-tetramethylpentyl)methanesulfonamide
SMILESCC(C)(C)CC(C)(C)CN(C(C)(C)C)S(C)(=O)=O
InChIInChI=1S/C14H31NO2S/c1-12(2,3)10-14(7,8)11-15(13(4,5)6)18(9,16)17/h10-11H2,1-9H3
InChIKeyDVAVPJHSPVKCTI-UHFFFAOYSA-N
XLogP3.51
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.47
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-N-ethylmethanesulfonamide
CID 58540473
2,2,4,4,6,6-hexamethylheptane
CID 2795065
N-tert-butyl-N-[4,4-dimethyl-2-(methylsulfonylmethyl)pentyl]methanesulfonamide;methane
CID 161033383
N-methyl-N-(2,2,4,4-tetramethylpentyl)acetamide
CID 170423404
N-tert-butyl-2-[tert-butyl(methylsulfonyl)amino]acetamide
CID 89118215
N-tert-butyl-N-[2-(1-fluoro-3,3-dimethylbutan-2-yl)oxyethyl]methanesulfonamide
CID 88980561
N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-2,2-dimethylpropanamide
CID 113068002
N-tert-butyl-N-[(2-tert-butylcyclopropyl)methyl]methanesulfonamide
CID 70799705
N-tert-butyl-N-(2,3,3-trimethylbutylsulfonylmethyl)methanesulfonamide;methane
CID 160795103
N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]propane-1-sulfonamide
CID 113068070
N-tert-butyl-N-[[(1R,2R)-2-tert-butyl-1-methylcyclopropyl]methyl]methanesulfonamide;methane
CID 159564293
N-tert-butyl-N-[(2-tert-butylcyclopropyl)methyl]methanesulfonamide;methane
CID 159631086

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-(2,2,4,4-tetramethylpentyl)methanesulfonamide?
The IUPAC name of N-tert-butyl-N-(2,2,4,4-tetramethylpentyl)methanesulfonamide (CID 88980763) is N-tert-butyl-N-(2,2,4,4-tetramethylpentyl)methanesulfonamide.
What is the SMILES notation for N-tert-butyl-N-(2,2,4,4-tetramethylpentyl)methanesulfonamide?
The canonical SMILES for N-tert-butyl-N-(2,2,4,4-tetramethylpentyl)methanesulfonamide is CC(C)(C)CC(C)(C)CN(C(C)(C)C)S(C)(=O)=O.
What is the InChIKey of N-tert-butyl-N-(2,2,4,4-tetramethylpentyl)methanesulfonamide?
The InChIKey is DVAVPJHSPVKCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO2S/c1-12(2,3)10-14(7,8)11-15(13(4,5)6)18(9,16)17/h10-11H2,1-9H3.
What are the key properties of N-tert-butyl-N-(2,2,4,4-tetramethylpentyl)methanesulfonamide?
N-tert-butyl-N-(2,2,4,4-tetramethylpentyl)methanesulfonamide has a molecular weight of 277.47 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-(2,2,4,4-tetramethylpentyl)methanesulfonamide is sourced from PubChem (CID 88980763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).