N-(3-tert-butyl-6-methyl-2-pyridinyl)-N-methylmethanesulfonamide

C12H20N2O2S — CID 167101395

IUPACN-(3-tert-butyl-6-methyl-2-pyridinyl)-N-methylmethanesulfonamide
SMILESCc1ccc(C(C)(C)C)c(N(C)S(C)(=O)=O)n1
InChIInChI=1S/C12H20N2O2S/c1-9-7-8-10(12(2,3)4)11(13-9)14(5)17(6,15)16/h7-8H,1-6H3
InChIKeyYFNROJREHWYLCN-UHFFFAOYSA-N
MW256.37 g/mol
LogP2.08
Rot. Bonds2

About N-(3-tert-butyl-6-methyl-2-pyridinyl)-N-methylmethanesulfonamide

N-(3-tert-butyl-6-methyl-2-pyridinyl)-N-methylmethanesulfonamide (PubChem CID 167101395) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is N-(3-tert-butyl-6-methyl-2-pyridinyl)-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-(3-tert-butyl-6-methyl-2-pyridinyl)-N-methylmethanesulfonamide
PubChem CID167101395
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC NameN-(3-tert-butyl-6-methyl-2-pyridinyl)-N-methylmethanesulfonamide
SMILESCc1ccc(C(C)(C)C)c(N(C)S(C)(=O)=O)n1
InChIInChI=1S/C12H20N2O2S/c1-9-7-8-10(12(2,3)4)11(13-9)14(5)17(6,15)16/h7-8H,1-6H3
InChIKeyYFNROJREHWYLCN-UHFFFAOYSA-N
XLogP2.08
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-6-methyl-2-pyridinyl)-N-methylmethanesulfonamide?
The IUPAC name of N-(3-tert-butyl-6-methyl-2-pyridinyl)-N-methylmethanesulfonamide (CID 167101395) is N-(3-tert-butyl-6-methyl-2-pyridinyl)-N-methylmethanesulfonamide.
What is the SMILES notation for N-(3-tert-butyl-6-methyl-2-pyridinyl)-N-methylmethanesulfonamide?
The canonical SMILES for N-(3-tert-butyl-6-methyl-2-pyridinyl)-N-methylmethanesulfonamide is Cc1ccc(C(C)(C)C)c(N(C)S(C)(=O)=O)n1.
What is the InChIKey of N-(3-tert-butyl-6-methyl-2-pyridinyl)-N-methylmethanesulfonamide?
The InChIKey is YFNROJREHWYLCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-9-7-8-10(12(2,3)4)11(13-9)14(5)17(6,15)16/h7-8H,1-6H3.
What are the key properties of N-(3-tert-butyl-6-methyl-2-pyridinyl)-N-methylmethanesulfonamide?
N-(3-tert-butyl-6-methyl-2-pyridinyl)-N-methylmethanesulfonamide has a molecular weight of 256.37 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-6-methyl-2-pyridinyl)-N-methylmethanesulfonamide is sourced from PubChem (CID 167101395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).