N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-(oxolan-2-yl)methanesulfonamide

C11H23NO4S — CID 79387072

IUPACN-ethyl-N-(2-hydroxy-2-methylpropyl)-1-(oxolan-2-yl)methanesulfonamide
SMILESCCN(CC(C)(C)O)S(=O)(=O)CC1CCCO1
InChIInChI=1S/C11H23NO4S/c1-4-12(9-11(2,3)13)17(14,15)8-10-6-5-7-16-10/h10,13H,4-9H2,1-3H3
InChIKeyPEKGHDDBKLIQEP-UHFFFAOYSA-N
MW265.37 g/mol
LogP0.59
Rot. Bonds6

About N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-(oxolan-2-yl)methanesulfonamide

N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-(oxolan-2-yl)methanesulfonamide (PubChem CID 79387072) has the molecular formula C11H23NO4S and a molecular weight of 265.37 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-(oxolan-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxy-2-methylpropyl)-1-(oxolan-2-yl)methanesulfonamide
PubChem CID79387072
Molecular FormulaC11H23NO4S
Molecular Weight265.37 g/mol
Exact Mass265.13
IUPAC NameN-ethyl-N-(2-hydroxy-2-methylpropyl)-1-(oxolan-2-yl)methanesulfonamide
SMILESCCN(CC(C)(C)O)S(=O)(=O)CC1CCCO1
InChIInChI=1S/C11H23NO4S/c1-4-12(9-11(2,3)13)17(14,15)8-10-6-5-7-16-10/h10,13H,4-9H2,1-3H3
InChIKeyPEKGHDDBKLIQEP-UHFFFAOYSA-N
XLogP0.59
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-(2-hydroxy-2-methylpropyl)-1-[(2R)-oxan-2-yl]methanesulfonamide
CID 124615175
N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-pyrrolidin-2-ylmethanesulfonamide
CID 79377843
2-[oxolan-2-ylmethylsulfonyl(propyl)amino]ethanethioamide
CID 55173354
(2S)-2-(tert-butylsulfonylmethyl)oxolane
CID 165172638
(2R)-2-ethyloxolane
CID 641529
N-(2-hydroxyethyl)-1-(oxolan-2-yl)-N-propan-2-ylmethanesulfonamide
CID 63247520
(2R)-2-(methylsulfonylmethyl)oxolane
CID 68993549
N-(2-hydroxyethyl)-1-(oxolan-2-yl)-N-prop-2-enylmethanesulfonamide
CID 115754603
N-(1-chloropropan-2-yl)-N-methyl-1-(oxolan-2-yl)methanesulfonamide
CID 104556477
azane;2-ethyloxolane
CID 174465001
N-[4-(ethylamino)cyclohexyl]-N-methyl-1-(oxolan-2-yl)methanesulfonamide
CID 79123098
N-ethyl-1-(oxolan-2-yl)-N-piperidin-3-ylmethanesulfonamide
CID 63246657

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-(oxolan-2-yl)methanesulfonamide?
The IUPAC name of N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-(oxolan-2-yl)methanesulfonamide (CID 79387072) is N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-(oxolan-2-yl)methanesulfonamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-(oxolan-2-yl)methanesulfonamide?
The canonical SMILES for N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-(oxolan-2-yl)methanesulfonamide is CCN(CC(C)(C)O)S(=O)(=O)CC1CCCO1.
What is the InChIKey of N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-(oxolan-2-yl)methanesulfonamide?
The InChIKey is PEKGHDDBKLIQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4S/c1-4-12(9-11(2,3)13)17(14,15)8-10-6-5-7-16-10/h10,13H,4-9H2,1-3H3.
What are the key properties of N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-(oxolan-2-yl)methanesulfonamide?
N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-(oxolan-2-yl)methanesulfonamide has a molecular weight of 265.37 g/mol, XLogP of 0.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-(oxolan-2-yl)methanesulfonamide is sourced from PubChem (CID 79387072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).