N-tert-butyl-N-(3,5,5-trimethylhexyl)methanesulfonamide

C14H31NO2S — CID 88980527

IUPACN-tert-butyl-N-(3,5,5-trimethylhexyl)methanesulfonamide
SMILESCC(CCN(C(C)(C)C)S(C)(=O)=O)CC(C)(C)C
InChIInChI=1S/C14H31NO2S/c1-12(11-13(2,3)4)9-10-15(14(5,6)7)18(8,16)17/h12H,9-11H2,1-8H3
InChIKeySDRZTJJFFOTMNN-UHFFFAOYSA-N
MW277.47 g/mol
LogP3.51
Rot. Bonds5

About N-tert-butyl-N-(3,5,5-trimethylhexyl)methanesulfonamide

N-tert-butyl-N-(3,5,5-trimethylhexyl)methanesulfonamide (PubChem CID 88980527) has the molecular formula C14H31NO2S and a molecular weight of 277.47 g/mol. Its IUPAC name is N-tert-butyl-N-(3,5,5-trimethylhexyl)methanesulfonamide.

Molecular Properties

Compound NameN-tert-butyl-N-(3,5,5-trimethylhexyl)methanesulfonamide
PubChem CID88980527
Molecular FormulaC14H31NO2S
Molecular Weight277.47 g/mol
Exact Mass277.21
IUPAC NameN-tert-butyl-N-(3,5,5-trimethylhexyl)methanesulfonamide
SMILESCC(CCN(C(C)(C)C)S(C)(=O)=O)CC(C)(C)C
InChIInChI=1S/C14H31NO2S/c1-12(11-13(2,3)4)9-10-15(14(5,6)7)18(8,16)17/h12H,9-11H2,1-8H3
InChIKeySDRZTJJFFOTMNN-UHFFFAOYSA-N
XLogP3.51
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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-[3-(fluoromethyl)-4,4-dimethylpentyl]methanesulfonamide
CID 88980747
Methylsulphonamide, N-ethyl-N-2-ethylhexyl-
CID 91715482
3-Methyl-1-methylsulfonyl-3-propylpiperidine
CID 71870439
3-Tert-butyl-1-methylsulfonylpyrrolidine
CID 20792959
4-Tert-butyl-4-(2,2-dimethylpropyl)-1-methylsulfonylpiperidine
CID 23590677
4-Tert-butyl-1-methylsulfonylazepane
CID 56791568
(3S)-3-tert-butyl-1-methylsulfonylpyrrolidine
CID 57564212
4-Methyl-1-methylsulfonyl-4-propan-2-ylpiperidine
CID 58394577
N-[(2R)-2-ethyl-3,3-dimethylbutyl]-N-methylmethanesulfonamide
CID 58573162
N-(2-ethyl-3,3-dimethylbutyl)-N-methylmethanesulfonamide
CID 58573308
1-Methylsulfonyl-4,4-di(propan-2-yl)piperidine
CID 58745697
1-Methylsulfonyl-3,3-di(propan-2-yl)pyrrolidine
CID 58745716

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-(3,5,5-trimethylhexyl)methanesulfonamide?
The IUPAC name of N-tert-butyl-N-(3,5,5-trimethylhexyl)methanesulfonamide (CID 88980527) is N-tert-butyl-N-(3,5,5-trimethylhexyl)methanesulfonamide.
What is the SMILES notation for N-tert-butyl-N-(3,5,5-trimethylhexyl)methanesulfonamide?
The canonical SMILES for N-tert-butyl-N-(3,5,5-trimethylhexyl)methanesulfonamide is CC(CCN(C(C)(C)C)S(C)(=O)=O)CC(C)(C)C.
What is the InChIKey of N-tert-butyl-N-(3,5,5-trimethylhexyl)methanesulfonamide?
The InChIKey is SDRZTJJFFOTMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO2S/c1-12(11-13(2,3)4)9-10-15(14(5,6)7)18(8,16)17/h12H,9-11H2,1-8H3.
What are the key properties of N-tert-butyl-N-(3,5,5-trimethylhexyl)methanesulfonamide?
N-tert-butyl-N-(3,5,5-trimethylhexyl)methanesulfonamide has a molecular weight of 277.47 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-(3,5,5-trimethylhexyl)methanesulfonamide is sourced from PubChem (CID 88980527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).