N-(2,2-dimethylpropyl)-N-methyl-2-[(2R)-oxolan-2-yl]ethanesulfonamide

C12H25NO3S — CID 97070753

IUPACN-(2,2-dimethylpropyl)-N-methyl-2-[(2R)-oxolan-2-yl]ethanesulfonamide
SMILESCN(CC(C)(C)C)S(=O)(=O)CC[C@H]1CCCO1
InChIInChI=1S/C12H25NO3S/c1-12(2,3)10-13(4)17(14,15)9-7-11-6-5-8-16-11/h11H,5-10H2,1-4H3/t11-/m1/s1
InChIKeyZHXWKMDPEULZHX-LLVKDONJSA-N
MW263.40 g/mol
LogP1.86
Rot. Bonds5

About N-(2,2-dimethylpropyl)-N-methyl-2-[(2R)-oxolan-2-yl]ethanesulfonamide

N-(2,2-dimethylpropyl)-N-methyl-2-[(2R)-oxolan-2-yl]ethanesulfonamide (PubChem CID 97070753) has the molecular formula C12H25NO3S and a molecular weight of 263.40 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-N-methyl-2-[(2R)-oxolan-2-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-N-methyl-2-[(2R)-oxolan-2-yl]ethanesulfonamide
PubChem CID97070753
Molecular FormulaC12H25NO3S
Molecular Weight263.40 g/mol
Exact Mass263.16
IUPAC NameN-(2,2-dimethylpropyl)-N-methyl-2-[(2R)-oxolan-2-yl]ethanesulfonamide
SMILESCN(CC(C)(C)C)S(=O)(=O)CC[C@H]1CCCO1
InChIInChI=1S/C12H25NO3S/c1-12(2,3)10-13(4)17(14,15)9-7-11-6-5-8-16-11/h11H,5-10H2,1-4H3/t11-/m1/s1
InChIKeyZHXWKMDPEULZHX-LLVKDONJSA-N
XLogP1.86
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-N-methyl-2-[(2R)-oxolan-2-yl]ethanesulfonamide?
The IUPAC name of N-(2,2-dimethylpropyl)-N-methyl-2-[(2R)-oxolan-2-yl]ethanesulfonamide (CID 97070753) is N-(2,2-dimethylpropyl)-N-methyl-2-[(2R)-oxolan-2-yl]ethanesulfonamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-N-methyl-2-[(2R)-oxolan-2-yl]ethanesulfonamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-N-methyl-2-[(2R)-oxolan-2-yl]ethanesulfonamide is CN(CC(C)(C)C)S(=O)(=O)CC[C@H]1CCCO1.
What is the InChIKey of N-(2,2-dimethylpropyl)-N-methyl-2-[(2R)-oxolan-2-yl]ethanesulfonamide?
The InChIKey is ZHXWKMDPEULZHX-LLVKDONJSA-N. The full InChI is InChI=1S/C12H25NO3S/c1-12(2,3)10-13(4)17(14,15)9-7-11-6-5-8-16-11/h11H,5-10H2,1-4H3/t11-/m1/s1.
What are the key properties of N-(2,2-dimethylpropyl)-N-methyl-2-[(2R)-oxolan-2-yl]ethanesulfonamide?
N-(2,2-dimethylpropyl)-N-methyl-2-[(2R)-oxolan-2-yl]ethanesulfonamide has a molecular weight of 263.40 g/mol, XLogP of 1.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-N-methyl-2-[(2R)-oxolan-2-yl]ethanesulfonamide is sourced from PubChem (CID 97070753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).