N-tert-butyl-N-[2-[(2-methylpropan-2-yl)oxy]propyl]methanesulfonamide

C12H27NO3S — CID 88980768

IUPACN-tert-butyl-N-[2-[(2-methylpropan-2-yl)oxy]propyl]methanesulfonamide
SMILESCC(CN(C(C)(C)C)S(C)(=O)=O)OC(C)(C)C
InChIInChI=1S/C12H27NO3S/c1-10(16-12(5,6)7)9-13(11(2,3)4)17(8,14)15/h10H,9H2,1-8H3
InChIKeyBTBJBFUSBBWOBS-UHFFFAOYSA-N
MW265.42 g/mol
LogP2.25
Rot. Bonds4

About N-tert-butyl-N-[2-[(2-methylpropan-2-yl)oxy]propyl]methanesulfonamide

N-tert-butyl-N-[2-[(2-methylpropan-2-yl)oxy]propyl]methanesulfonamide (PubChem CID 88980768) has the molecular formula C12H27NO3S and a molecular weight of 265.42 g/mol. Its IUPAC name is N-tert-butyl-N-[2-[(2-methylpropan-2-yl)oxy]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-tert-butyl-N-[2-[(2-methylpropan-2-yl)oxy]propyl]methanesulfonamide
PubChem CID88980768
Molecular FormulaC12H27NO3S
Molecular Weight265.42 g/mol
Exact Mass265.17
IUPAC NameN-tert-butyl-N-[2-[(2-methylpropan-2-yl)oxy]propyl]methanesulfonamide
SMILESCC(CN(C(C)(C)C)S(C)(=O)=O)OC(C)(C)C
InChIInChI=1S/C12H27NO3S/c1-10(16-12(5,6)7)9-13(11(2,3)4)17(8,14)15/h10H,9H2,1-8H3
InChIKeyBTBJBFUSBBWOBS-UHFFFAOYSA-N
XLogP2.25
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-[2-[(2-methylpropan-2-yl)oxy]propyl]methanesulfonamide?
The IUPAC name of N-tert-butyl-N-[2-[(2-methylpropan-2-yl)oxy]propyl]methanesulfonamide (CID 88980768) is N-tert-butyl-N-[2-[(2-methylpropan-2-yl)oxy]propyl]methanesulfonamide.
What is the SMILES notation for N-tert-butyl-N-[2-[(2-methylpropan-2-yl)oxy]propyl]methanesulfonamide?
The canonical SMILES for N-tert-butyl-N-[2-[(2-methylpropan-2-yl)oxy]propyl]methanesulfonamide is CC(CN(C(C)(C)C)S(C)(=O)=O)OC(C)(C)C.
What is the InChIKey of N-tert-butyl-N-[2-[(2-methylpropan-2-yl)oxy]propyl]methanesulfonamide?
The InChIKey is BTBJBFUSBBWOBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO3S/c1-10(16-12(5,6)7)9-13(11(2,3)4)17(8,14)15/h10H,9H2,1-8H3.
What are the key properties of N-tert-butyl-N-[2-[(2-methylpropan-2-yl)oxy]propyl]methanesulfonamide?
N-tert-butyl-N-[2-[(2-methylpropan-2-yl)oxy]propyl]methanesulfonamide has a molecular weight of 265.42 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-[2-[(2-methylpropan-2-yl)oxy]propyl]methanesulfonamide is sourced from PubChem (CID 88980768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).