2-ethyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-1H-imidazole-5-sulfonamide

C13H22N4O3S — CID 122557328

IUPAC2-ethyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-1H-imidazole-5-sulfonamide
SMILESCCc1ncc(S(=O)(=O)N[C@H]2COC[C@@H]2N2CCCC2)[nH]1
InChIInChI=1S/C13H22N4O3S/c1-2-12-14-7-13(15-12)21(18,19)16-10-8-20-9-11(10)17-5-3-4-6-17/h7,10-11,16H,2-6,8-9H2,1H3,(H,14,15)/t10-,11-/m0/s1
InChIKeyVGQVJIPUVYDCTP-QWRGUYRKSA-N
MW314.41 g/mol
LogP0.11
Rot. Bonds5

About 2-ethyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-1H-imidazole-5-sulfonamide

2-ethyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-1H-imidazole-5-sulfonamide (PubChem CID 122557328) has the molecular formula C13H22N4O3S and a molecular weight of 314.41 g/mol. Its IUPAC name is 2-ethyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound Name2-ethyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-1H-imidazole-5-sulfonamide
PubChem CID122557328
Molecular FormulaC13H22N4O3S
Molecular Weight314.41 g/mol
Exact Mass314.14
IUPAC Name2-ethyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-1H-imidazole-5-sulfonamide
SMILESCCc1ncc(S(=O)(=O)N[C@H]2COC[C@@H]2N2CCCC2)[nH]1
InChIInChI=1S/C13H22N4O3S/c1-2-12-14-7-13(15-12)21(18,19)16-10-8-20-9-11(10)17-5-3-4-6-17/h7,10-11,16H,2-6,8-9H2,1H3,(H,14,15)/t10-,11-/m0/s1
InChIKeyVGQVJIPUVYDCTP-QWRGUYRKSA-N
XLogP0.11
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-1H-imidazole-5-sulfonamide?
The IUPAC name of 2-ethyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-1H-imidazole-5-sulfonamide (CID 122557328) is 2-ethyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-1H-imidazole-5-sulfonamide.
What is the SMILES notation for 2-ethyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-1H-imidazole-5-sulfonamide?
The canonical SMILES for 2-ethyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-1H-imidazole-5-sulfonamide is CCc1ncc(S(=O)(=O)N[C@H]2COC[C@@H]2N2CCCC2)[nH]1.
What is the InChIKey of 2-ethyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-1H-imidazole-5-sulfonamide?
The InChIKey is VGQVJIPUVYDCTP-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H22N4O3S/c1-2-12-14-7-13(15-12)21(18,19)16-10-8-20-9-11(10)17-5-3-4-6-17/h7,10-11,16H,2-6,8-9H2,1H3,(H,14,15)/t10-,11-/m0/s1.
What are the key properties of 2-ethyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-1H-imidazole-5-sulfonamide?
2-ethyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-1H-imidazole-5-sulfonamide has a molecular weight of 314.41 g/mol, XLogP of 0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 122557328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).