2-cyclopropyl-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]ethanesulfonamide

C14H23N3O3S — CID 136581043

IUPAC2-cyclopropyl-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]ethanesulfonamide
SMILESCCn1cc([C@H]2OCC[C@@H]2NS(=O)(=O)CCC2CC2)cn1
InChIInChI=1S/C14H23N3O3S/c1-2-17-10-12(9-15-17)14-13(5-7-20-14)16-21(18,19)8-6-11-3-4-11/h9-11,13-14,16H,2-8H2,1H3/t13-,14+/m0/s1
InChIKeyATFJBABTQGTRNB-UONOGXRCSA-N
MW313.42 g/mol
LogP1.45
Rot. Bonds7

About 2-cyclopropyl-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]ethanesulfonamide

2-cyclopropyl-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]ethanesulfonamide (PubChem CID 136581043) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]ethanesulfonamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]ethanesulfonamide
PubChem CID136581043
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name2-cyclopropyl-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]ethanesulfonamide
SMILESCCn1cc([C@H]2OCC[C@@H]2NS(=O)(=O)CCC2CC2)cn1
InChIInChI=1S/C14H23N3O3S/c1-2-17-10-12(9-15-17)14-13(5-7-20-14)16-21(18,19)8-6-11-3-4-11/h9-11,13-14,16H,2-8H2,1H3/t13-,14+/m0/s1
InChIKeyATFJBABTQGTRNB-UONOGXRCSA-N
XLogP1.45
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-cyclopropyl-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]ethanesulfonamide with MolForge

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Related Compounds

N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-2-propan-2-yloxyethanesulfonamide
CID 129002936
N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-2-methylpyrazole-3-sulfonamide
CID 129003579
2-(1-ethylpyrazol-4-yl)oxolan-3-amine
CID 103848592
3-[[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]sulfamoyl]benzamide
CID 128998358
3-chloro-4-cyano-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]benzenesulfonamide
CID 129005291
2-cyano-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-4-fluorobenzenesulfonamide
CID 154753375
3-cyano-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-4-fluorobenzenesulfonamide
CID 129005444
2-cyclopropyl-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-1,3-oxazole-5-sulfonamide
CID 166308374
(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolane-3-carboxylic acid
CID 124681119
(2R)-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-1,4-dithiane-2-carboxamide
CID 129473013
2-[cyclopropyl(ethyl)amino]-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]acetamide
CID 129006245
(2S,5R)-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-5-methyloxolane-2-carboxamide
CID 129341858

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]ethanesulfonamide?
The IUPAC name of 2-cyclopropyl-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]ethanesulfonamide (CID 136581043) is 2-cyclopropyl-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]ethanesulfonamide.
What is the SMILES notation for 2-cyclopropyl-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]ethanesulfonamide?
The canonical SMILES for 2-cyclopropyl-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]ethanesulfonamide is CCn1cc([C@H]2OCC[C@@H]2NS(=O)(=O)CCC2CC2)cn1.
What is the InChIKey of 2-cyclopropyl-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]ethanesulfonamide?
The InChIKey is ATFJBABTQGTRNB-UONOGXRCSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-2-17-10-12(9-15-17)14-13(5-7-20-14)16-21(18,19)8-6-11-3-4-11/h9-11,13-14,16H,2-8H2,1H3/t13-,14+/m0/s1.
What are the key properties of 2-cyclopropyl-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]ethanesulfonamide?
2-cyclopropyl-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]ethanesulfonamide has a molecular weight of 313.42 g/mol, XLogP of 1.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]ethanesulfonamide is sourced from PubChem (CID 136581043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).