N-[(3S,4R)-1,4-dimethylpyrrolidin-3-yl]-1-[(2R)-oxolan-2-yl]methanesulfonamide

C11H22N2O3S — CID 129461852

IUPACN-[(3S,4R)-1,4-dimethylpyrrolidin-3-yl]-1-[(2R)-oxolan-2-yl]methanesulfonamide
SMILESC[C@@H]1CN(C)C[C@H]1NS(=O)(=O)C[C@H]1CCCO1
InChIInChI=1S/C11H22N2O3S/c1-9-6-13(2)7-11(9)12-17(14,15)8-10-4-3-5-16-10/h9-12H,3-8H2,1-2H3/t9-,10-,11-/m1/s1
InChIKeyLYXHBDPRJJFASX-GMTAPVOTSA-N
MW262.37 g/mol
LogP0.03
Rot. Bonds4

About N-[(3S,4R)-1,4-dimethylpyrrolidin-3-yl]-1-[(2R)-oxolan-2-yl]methanesulfonamide

N-[(3S,4R)-1,4-dimethylpyrrolidin-3-yl]-1-[(2R)-oxolan-2-yl]methanesulfonamide (PubChem CID 129461852) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is N-[(3S,4R)-1,4-dimethylpyrrolidin-3-yl]-1-[(2R)-oxolan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(3S,4R)-1,4-dimethylpyrrolidin-3-yl]-1-[(2R)-oxolan-2-yl]methanesulfonamide
PubChem CID129461852
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC NameN-[(3S,4R)-1,4-dimethylpyrrolidin-3-yl]-1-[(2R)-oxolan-2-yl]methanesulfonamide
SMILESC[C@@H]1CN(C)C[C@H]1NS(=O)(=O)C[C@H]1CCCO1
InChIInChI=1S/C11H22N2O3S/c1-9-6-13(2)7-11(9)12-17(14,15)8-10-4-3-5-16-10/h9-12H,3-8H2,1-2H3/t9-,10-,11-/m1/s1
InChIKeyLYXHBDPRJJFASX-GMTAPVOTSA-N
XLogP0.03
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3S,4R)-1,4-dimethylpyrrolidin-3-yl]-1-[(2R)-oxolan-2-yl]methanesulfonamide with MolForge

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Related Compounds

4-(oxolan-2-ylmethylsulfonylamino)oxolane-3-carboxylic acid
CID 66239876
N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-1-[(2S)-oxolan-2-yl]methanesulfonamide
CID 129333429
1,3-dimethyl-N-[2-(oxolan-2-yl)ethyl]piperidin-4-amine
CID 115708963
(2R)-2-(methylsulfonylmethyl)oxolane
CID 68993549
methyl 4-(oxolan-2-ylmethylsulfonylamino)cyclohexane-1-carboxylate
CID 115617300
N-(4-cyano-1-methylpiperidin-4-yl)-1-(oxolan-2-yl)methanesulfonamide
CID 55173730
N,3,5-trimethyl-2-(oxolan-2-ylmethylsulfonyl)cyclohexan-1-amine
CID 106496093
N-[2-(methylamino)ethyl]-1-(oxolan-2-yl)methanesulfonamide;hydrochloride
CID 119972933
N-(4-aminobutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide
CID 63246921
N-(azepan-4-yl)-1-(oxolan-2-yl)methanesulfonamide
CID 107172917
N-[(1S,5S)-3-cyclopropyl-3-azabicyclo[3.3.1]nonan-9-yl]-1-[(2R)-oxan-2-yl]methanesulfonamide
CID 124859076
1-(oxan-2-yl)-N-[(3R)-piperidin-3-yl]methanesulfonamide
CID 120723774

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-1,4-dimethylpyrrolidin-3-yl]-1-[(2R)-oxolan-2-yl]methanesulfonamide?
The IUPAC name of N-[(3S,4R)-1,4-dimethylpyrrolidin-3-yl]-1-[(2R)-oxolan-2-yl]methanesulfonamide (CID 129461852) is N-[(3S,4R)-1,4-dimethylpyrrolidin-3-yl]-1-[(2R)-oxolan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[(3S,4R)-1,4-dimethylpyrrolidin-3-yl]-1-[(2R)-oxolan-2-yl]methanesulfonamide?
The canonical SMILES for N-[(3S,4R)-1,4-dimethylpyrrolidin-3-yl]-1-[(2R)-oxolan-2-yl]methanesulfonamide is C[C@@H]1CN(C)C[C@H]1NS(=O)(=O)C[C@H]1CCCO1.
What is the InChIKey of N-[(3S,4R)-1,4-dimethylpyrrolidin-3-yl]-1-[(2R)-oxolan-2-yl]methanesulfonamide?
The InChIKey is LYXHBDPRJJFASX-GMTAPVOTSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-9-6-13(2)7-11(9)12-17(14,15)8-10-4-3-5-16-10/h9-12H,3-8H2,1-2H3/t9-,10-,11-/m1/s1.
What are the key properties of N-[(3S,4R)-1,4-dimethylpyrrolidin-3-yl]-1-[(2R)-oxolan-2-yl]methanesulfonamide?
N-[(3S,4R)-1,4-dimethylpyrrolidin-3-yl]-1-[(2R)-oxolan-2-yl]methanesulfonamide has a molecular weight of 262.37 g/mol, XLogP of 0.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-1,4-dimethylpyrrolidin-3-yl]-1-[(2R)-oxolan-2-yl]methanesulfonamide is sourced from PubChem (CID 129461852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).