2-[(2R)-oxolan-2-yl]-N-[(1R)-1-thiophen-2-ylpropyl]ethanesulfonamide

C13H21NO3S2 — CID 97096482

IUPAC2-[(2R)-oxolan-2-yl]-N-[(1R)-1-thiophen-2-ylpropyl]ethanesulfonamide
SMILESCC[C@@H](NS(=O)(=O)CC[C@H]1CCCO1)c1cccs1
InChIInChI=1S/C13H21NO3S2/c1-2-12(13-6-4-9-18-13)14-19(15,16)10-7-11-5-3-8-17-11/h4,6,9,11-12,14H,2-3,5,7-8,10H2,1H3/t11-,12-/m1/s1
InChIKeyNFDSHDWENWMRBB-VXGBXAGGSA-N
MW303.45 g/mol
LogP2.69
Rot. Bonds7

About 2-[(2R)-oxolan-2-yl]-N-[(1R)-1-thiophen-2-ylpropyl]ethanesulfonamide

2-[(2R)-oxolan-2-yl]-N-[(1R)-1-thiophen-2-ylpropyl]ethanesulfonamide (PubChem CID 97096482) has the molecular formula C13H21NO3S2 and a molecular weight of 303.45 g/mol. Its IUPAC name is 2-[(2R)-oxolan-2-yl]-N-[(1R)-1-thiophen-2-ylpropyl]ethanesulfonamide.

Molecular Properties

Compound Name2-[(2R)-oxolan-2-yl]-N-[(1R)-1-thiophen-2-ylpropyl]ethanesulfonamide
PubChem CID97096482
Molecular FormulaC13H21NO3S2
Molecular Weight303.45 g/mol
Exact Mass303.10
IUPAC Name2-[(2R)-oxolan-2-yl]-N-[(1R)-1-thiophen-2-ylpropyl]ethanesulfonamide
SMILESCC[C@@H](NS(=O)(=O)CC[C@H]1CCCO1)c1cccs1
InChIInChI=1S/C13H21NO3S2/c1-2-12(13-6-4-9-18-13)14-19(15,16)10-7-11-5-3-8-17-11/h4,6,9,11-12,14H,2-3,5,7-8,10H2,1H3/t11-,12-/m1/s1
InChIKeyNFDSHDWENWMRBB-VXGBXAGGSA-N
XLogP2.69
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(oxolan-2-yl)propyl]-1-thiophen-2-ylbutan-1-amine
CID 65164005
N-methyl-2-[(2R)-oxolan-2-yl]-N-[(2S)-1-thiophen-2-ylpropan-2-yl]ethanesulfonamide
CID 124856489
(1S)-N-[2-(oxolan-2-yl)ethyl]-1-thiophen-2-ylethanamine
CID 81409134
N-[(1R)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-[(2R)-oxolan-2-yl]ethanesulfonamide
CID 97089486
4-(propylamino)-N-(1-thiophen-2-ylpropyl)butane-1-sulfonamide
CID 106053458
2-amino-N-[2-(oxolan-2-yl)ethyl]-2-thiophen-2-ylacetamide
CID 115286809
2-[1-(sulfamoylamino)propyl]thiophene
CID 112686147
(1R)-N-(oxolan-2-ylmethyl)-1-thiophen-2-ylethanamine
CID 81408382
N-(1-thiophen-2-ylpropyl)pyrrolidine-1-sulfonamide
CID 131924146
N-(1-thiophen-2-ylpropyl)morpholine-4-sulfonamide
CID 47306222
N-[1-[2-[(2R)-oxolan-2-yl]ethylsulfonyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 96539853
(3S)-3-[[2-[(2S)-oxolan-2-yl]acetyl]amino]-3-thiophen-2-ylpropanoic acid
CID 124699769

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-oxolan-2-yl]-N-[(1R)-1-thiophen-2-ylpropyl]ethanesulfonamide?
The IUPAC name of 2-[(2R)-oxolan-2-yl]-N-[(1R)-1-thiophen-2-ylpropyl]ethanesulfonamide (CID 97096482) is 2-[(2R)-oxolan-2-yl]-N-[(1R)-1-thiophen-2-ylpropyl]ethanesulfonamide.
What is the SMILES notation for 2-[(2R)-oxolan-2-yl]-N-[(1R)-1-thiophen-2-ylpropyl]ethanesulfonamide?
The canonical SMILES for 2-[(2R)-oxolan-2-yl]-N-[(1R)-1-thiophen-2-ylpropyl]ethanesulfonamide is CC[C@@H](NS(=O)(=O)CC[C@H]1CCCO1)c1cccs1.
What is the InChIKey of 2-[(2R)-oxolan-2-yl]-N-[(1R)-1-thiophen-2-ylpropyl]ethanesulfonamide?
The InChIKey is NFDSHDWENWMRBB-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H21NO3S2/c1-2-12(13-6-4-9-18-13)14-19(15,16)10-7-11-5-3-8-17-11/h4,6,9,11-12,14H,2-3,5,7-8,10H2,1H3/t11-,12-/m1/s1.
What are the key properties of 2-[(2R)-oxolan-2-yl]-N-[(1R)-1-thiophen-2-ylpropyl]ethanesulfonamide?
2-[(2R)-oxolan-2-yl]-N-[(1R)-1-thiophen-2-ylpropyl]ethanesulfonamide has a molecular weight of 303.45 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-oxolan-2-yl]-N-[(1R)-1-thiophen-2-ylpropyl]ethanesulfonamide is sourced from PubChem (CID 97096482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).