N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-pyrrolidin-2-ylmethanesulfonamide

C11H24N2O3S — CID 79377843

IUPACN-ethyl-N-(2-hydroxy-2-methylpropyl)-1-pyrrolidin-2-ylmethanesulfonamide
SMILESCCN(CC(C)(C)O)S(=O)(=O)CC1CCCN1
InChIInChI=1S/C11H24N2O3S/c1-4-13(9-11(2,3)14)17(15,16)8-10-6-5-7-12-10/h10,12,14H,4-9H2,1-3H3
InChIKeyJEJLYUWAYUKTRI-UHFFFAOYSA-N
MW264.39 g/mol
LogP0.16
Rot. Bonds6

About N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-pyrrolidin-2-ylmethanesulfonamide

N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-pyrrolidin-2-ylmethanesulfonamide (PubChem CID 79377843) has the molecular formula C11H24N2O3S and a molecular weight of 264.39 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-pyrrolidin-2-ylmethanesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxy-2-methylpropyl)-1-pyrrolidin-2-ylmethanesulfonamide
PubChem CID79377843
Molecular FormulaC11H24N2O3S
Molecular Weight264.39 g/mol
Exact Mass264.15
IUPAC NameN-ethyl-N-(2-hydroxy-2-methylpropyl)-1-pyrrolidin-2-ylmethanesulfonamide
SMILESCCN(CC(C)(C)O)S(=O)(=O)CC1CCCN1
InChIInChI=1S/C11H24N2O3S/c1-4-13(9-11(2,3)14)17(15,16)8-10-6-5-7-12-10/h10,12,14H,4-9H2,1-3H3
InChIKeyJEJLYUWAYUKTRI-UHFFFAOYSA-N
XLogP0.16
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclohexyl-N-ethyl-N-(2-hydroxy-2-methylpropyl)methanesulfonamide
CID 79387330
N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-(oxolan-2-yl)methanesulfonamide
CID 79387072
N,N-diethyl-2-pyrrolidin-2-ylethanesulfonamide
CID 115040519
N-ethyl-1-pyrrolidin-2-yl-N-(thiophen-2-ylmethyl)methanesulfonamide
CID 54971999
N-cycloheptyl-N-methyl-1-pyrrolidin-2-ylmethanesulfonamide
CID 54972486
N-ethyl-2-methyl-N-(pyrrolidin-2-ylmethyl)propane-1-sulfonamide
CID 106608119
N,N-bis(3-methylbutyl)-1-piperidin-2-ylmethanesulfonamide
CID 107870369
1-cyano-N-ethyl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide
CID 106607994
(2R)-2-(methylsulfonylmethyl)pyrrolidine;hydrochloride
CID 155971117
N-butyl-1-cyclohexyl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide
CID 106609116
N-ethyl-N-pyridin-4-yl-1-pyrrolidin-2-ylmethanesulfonamide
CID 106936342
N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)ethanesulfonamide
CID 106608788

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-pyrrolidin-2-ylmethanesulfonamide?
The IUPAC name of N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-pyrrolidin-2-ylmethanesulfonamide (CID 79377843) is N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-pyrrolidin-2-ylmethanesulfonamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-pyrrolidin-2-ylmethanesulfonamide?
The canonical SMILES for N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-pyrrolidin-2-ylmethanesulfonamide is CCN(CC(C)(C)O)S(=O)(=O)CC1CCCN1.
What is the InChIKey of N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-pyrrolidin-2-ylmethanesulfonamide?
The InChIKey is JEJLYUWAYUKTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3S/c1-4-13(9-11(2,3)14)17(15,16)8-10-6-5-7-12-10/h10,12,14H,4-9H2,1-3H3.
What are the key properties of N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-pyrrolidin-2-ylmethanesulfonamide?
N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-pyrrolidin-2-ylmethanesulfonamide has a molecular weight of 264.39 g/mol, XLogP of 0.16, 6 rotatable bonds, 2 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-pyrrolidin-2-ylmethanesulfonamide is sourced from PubChem (CID 79377843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).