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

C14H25N3O4S — CID 129002936

IUPACN-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-2-propan-2-yloxyethanesulfonamide
SMILESCCn1cc([C@H]2OCC[C@@H]2NS(=O)(=O)CCOC(C)C)cn1
InChIInChI=1S/C14H25N3O4S/c1-4-17-10-12(9-15-17)14-13(5-6-21-14)16-22(18,19)8-7-20-11(2)3/h9-11,13-14,16H,4-8H2,1-3H3/t13-,14+/m0/s1
InChIKeyQDSBHCUOHXUYPT-UONOGXRCSA-N
MW331.44 g/mol
LogP1.08
Rot. Bonds8

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

N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-2-propan-2-yloxyethanesulfonamide (PubChem CID 129002936) has the molecular formula C14H25N3O4S and a molecular weight of 331.44 g/mol. Its IUPAC name is N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-2-propan-2-yloxyethanesulfonamide.

Molecular Properties

Compound NameN-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-2-propan-2-yloxyethanesulfonamide
PubChem CID129002936
Molecular FormulaC14H25N3O4S
Molecular Weight331.44 g/mol
Exact Mass331.16
IUPAC NameN-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-2-propan-2-yloxyethanesulfonamide
SMILESCCn1cc([C@H]2OCC[C@@H]2NS(=O)(=O)CCOC(C)C)cn1
InChIInChI=1S/C14H25N3O4S/c1-4-17-10-12(9-15-17)14-13(5-6-21-14)16-22(18,19)8-7-20-11(2)3/h9-11,13-14,16H,4-8H2,1-3H3/t13-,14+/m0/s1
InChIKeyQDSBHCUOHXUYPT-UONOGXRCSA-N
XLogP1.08
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-2-propan-2-yloxyethanesulfonamide?
The IUPAC name of N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-2-propan-2-yloxyethanesulfonamide (CID 129002936) is N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-2-propan-2-yloxyethanesulfonamide.
What is the SMILES notation for N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-2-propan-2-yloxyethanesulfonamide?
The canonical SMILES for N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-2-propan-2-yloxyethanesulfonamide is CCn1cc([C@H]2OCC[C@@H]2NS(=O)(=O)CCOC(C)C)cn1.
What is the InChIKey of N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-2-propan-2-yloxyethanesulfonamide?
The InChIKey is QDSBHCUOHXUYPT-UONOGXRCSA-N. The full InChI is InChI=1S/C14H25N3O4S/c1-4-17-10-12(9-15-17)14-13(5-6-21-14)16-22(18,19)8-7-20-11(2)3/h9-11,13-14,16H,4-8H2,1-3H3/t13-,14+/m0/s1.
What are the key properties of N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-2-propan-2-yloxyethanesulfonamide?
N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-2-propan-2-yloxyethanesulfonamide has a molecular weight of 331.44 g/mol, XLogP of 1.08, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-2-propan-2-yloxyethanesulfonamide is sourced from PubChem (CID 129002936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).