N-methyl-2-[(2R)-oxolan-2-yl]-N-[(2S)-1-thiophen-2-ylpropan-2-yl]ethanesulfonamide

C14H23NO3S2 — CID 124856489

IUPACN-methyl-2-[(2R)-oxolan-2-yl]-N-[(2S)-1-thiophen-2-ylpropan-2-yl]ethanesulfonamide
SMILESC[C@@H](Cc1cccs1)N(C)S(=O)(=O)CC[C@H]1CCCO1
InChIInChI=1S/C14H23NO3S2/c1-12(11-14-6-4-9-19-14)15(2)20(16,17)10-7-13-5-3-8-18-13/h4,6,9,12-13H,3,5,7-8,10-11H2,1-2H3/t12-,13+/m0/s1
InChIKeyLJJRVYYSMWEEGQ-QWHCGFSZSA-N
MW317.48 g/mol
LogP2.51
Rot. Bonds7

About N-methyl-2-[(2R)-oxolan-2-yl]-N-[(2S)-1-thiophen-2-ylpropan-2-yl]ethanesulfonamide

N-methyl-2-[(2R)-oxolan-2-yl]-N-[(2S)-1-thiophen-2-ylpropan-2-yl]ethanesulfonamide (PubChem CID 124856489) has the molecular formula C14H23NO3S2 and a molecular weight of 317.48 g/mol. Its IUPAC name is N-methyl-2-[(2R)-oxolan-2-yl]-N-[(2S)-1-thiophen-2-ylpropan-2-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-methyl-2-[(2R)-oxolan-2-yl]-N-[(2S)-1-thiophen-2-ylpropan-2-yl]ethanesulfonamide
PubChem CID124856489
Molecular FormulaC14H23NO3S2
Molecular Weight317.48 g/mol
Exact Mass317.11
IUPAC NameN-methyl-2-[(2R)-oxolan-2-yl]-N-[(2S)-1-thiophen-2-ylpropan-2-yl]ethanesulfonamide
SMILESC[C@@H](Cc1cccs1)N(C)S(=O)(=O)CC[C@H]1CCCO1
InChIInChI=1S/C14H23NO3S2/c1-12(11-14-6-4-9-19-14)15(2)20(16,17)10-7-13-5-3-8-18-13/h4,6,9,12-13H,3,5,7-8,10-11H2,1-2H3/t12-,13+/m0/s1
InChIKeyLJJRVYYSMWEEGQ-QWHCGFSZSA-N
XLogP2.51
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-methyl-2-[(2R)-oxolan-2-yl]-N-[(2S)-1-thiophen-2-ylpropan-2-yl]ethanesulfonamide with MolForge

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Related Compounds

2-[(2R)-oxolan-2-yl]-N-[(1R)-1-thiophen-2-ylpropyl]ethanesulfonamide
CID 97096482
N-methyl-2-(oxolan-2-yl)-N-(2-phenylpropyl)ethanesulfonamide
CID 71969848
N-methyl-N-(2-methyl-1-pyridin-3-ylpropyl)-2-(oxolan-2-yl)ethanesulfonamide
CID 75380712
N-(oxolan-2-ylmethyl)-1-thiophen-2-ylpropan-2-amine
CID 63291889
N-[(R)-cyclopropyl-(4-fluorophenyl)methyl]-N-methyl-2-[(2R)-oxolan-2-yl]ethanesulfonamide
CID 129424141
N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)methanesulfonamide
CID 60681211
2-(hydroxymethyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)piperidine-1-sulfonamide
CID 79489459
2-(3-bromo-4-thiophen-2-ylbutyl)oxane
CID 63950801
(1S)-N-[2-(oxolan-2-yl)ethyl]-1-thiophen-2-ylethanamine
CID 81409134
1-(2-aminophenyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)methanesulfonamide
CID 79471332
4-[methyl(propan-2-yl)sulfamoyl]-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 55507704
2-(oxolan-2-ylmethylsulfonyl)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 106513593

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(2R)-oxolan-2-yl]-N-[(2S)-1-thiophen-2-ylpropan-2-yl]ethanesulfonamide?
The IUPAC name of N-methyl-2-[(2R)-oxolan-2-yl]-N-[(2S)-1-thiophen-2-ylpropan-2-yl]ethanesulfonamide (CID 124856489) is N-methyl-2-[(2R)-oxolan-2-yl]-N-[(2S)-1-thiophen-2-ylpropan-2-yl]ethanesulfonamide.
What is the SMILES notation for N-methyl-2-[(2R)-oxolan-2-yl]-N-[(2S)-1-thiophen-2-ylpropan-2-yl]ethanesulfonamide?
The canonical SMILES for N-methyl-2-[(2R)-oxolan-2-yl]-N-[(2S)-1-thiophen-2-ylpropan-2-yl]ethanesulfonamide is C[C@@H](Cc1cccs1)N(C)S(=O)(=O)CC[C@H]1CCCO1.
What is the InChIKey of N-methyl-2-[(2R)-oxolan-2-yl]-N-[(2S)-1-thiophen-2-ylpropan-2-yl]ethanesulfonamide?
The InChIKey is LJJRVYYSMWEEGQ-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H23NO3S2/c1-12(11-14-6-4-9-19-14)15(2)20(16,17)10-7-13-5-3-8-18-13/h4,6,9,12-13H,3,5,7-8,10-11H2,1-2H3/t12-,13+/m0/s1.
What are the key properties of N-methyl-2-[(2R)-oxolan-2-yl]-N-[(2S)-1-thiophen-2-ylpropan-2-yl]ethanesulfonamide?
N-methyl-2-[(2R)-oxolan-2-yl]-N-[(2S)-1-thiophen-2-ylpropan-2-yl]ethanesulfonamide has a molecular weight of 317.48 g/mol, XLogP of 2.51, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(2R)-oxolan-2-yl]-N-[(2S)-1-thiophen-2-ylpropan-2-yl]ethanesulfonamide is sourced from PubChem (CID 124856489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).