N-[(1S,3R)-3-ethyl-4-[(2Z)-2-(methylidenehydrazinylidene)-5H-pyrrolo[2,3-b]pyrazin-1-yl]cyclopentyl]propane-1-sulfonamide

C17H26N6O2S — CID 136643674

IUPACN-[(1S,3R)-3-ethyl-4-[(2Z)-2-(methylidenehydrazinylidene)-5H-pyrrolo[2,3-b]pyrazin-1-yl]cyclopentyl]propane-1-sulfonamide
SMILESC=N/N=c1/cnc2[nH]ccc2n1C1C[C@@H](NS(=O)(=O)CCC)C[C@H]1CC
InChIInChI=1S/C17H26N6O2S/c1-4-8-26(24,25)22-13-9-12(5-2)15(10-13)23-14-6-7-19-17(14)20-11-16(23)21-18-3/h6-7,11-13,15,19,22H,3-5,8-10H2,1-2H3/b21-16-/t12-,13+,15?/m1/s1
InChIKeyXAYHPOHXIGJXNL-UIZMJGNFSA-N
MW378.50 g/mol
LogP1.94
Rot. Bonds7

About N-[(1S,3R)-3-ethyl-4-[(2Z)-2-(methylidenehydrazinylidene)-5H-pyrrolo[2,3-b]pyrazin-1-yl]cyclopentyl]propane-1-sulfonamide

N-[(1S,3R)-3-ethyl-4-[(2Z)-2-(methylidenehydrazinylidene)-5H-pyrrolo[2,3-b]pyrazin-1-yl]cyclopentyl]propane-1-sulfonamide (PubChem CID 136643674) has the molecular formula C17H26N6O2S and a molecular weight of 378.50 g/mol. Its IUPAC name is N-[(1S,3R)-3-ethyl-4-[(2Z)-2-(methylidenehydrazinylidene)-5H-pyrrolo[2,3-b]pyrazin-1-yl]cyclopentyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[(1S,3R)-3-ethyl-4-[(2Z)-2-(methylidenehydrazinylidene)-5H-pyrrolo[2,3-b]pyrazin-1-yl]cyclopentyl]propane-1-sulfonamide
PubChem CID136643674
Molecular FormulaC17H26N6O2S
Molecular Weight378.50 g/mol
Exact Mass378.18
IUPAC NameN-[(1S,3R)-3-ethyl-4-[(2Z)-2-(methylidenehydrazinylidene)-5H-pyrrolo[2,3-b]pyrazin-1-yl]cyclopentyl]propane-1-sulfonamide
SMILESC=N/N=c1/cnc2[nH]ccc2n1C1C[C@@H](NS(=O)(=O)CCC)C[C@H]1CC
InChIInChI=1S/C17H26N6O2S/c1-4-8-26(24,25)22-13-9-12(5-2)15(10-13)23-14-6-7-19-17(14)20-11-16(23)21-18-3/h6-7,11-13,15,19,22H,3-5,8-10H2,1-2H3/b21-16-/t12-,13+,15?/m1/s1
InChIKeyXAYHPOHXIGJXNL-UIZMJGNFSA-N
XLogP1.94
TPSA104.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,3R)-3-ethyl-4-[(2Z)-2-(methylidenehydrazinylidene)-5H-pyrrolo[2,3-b]pyrazin-1-yl]cyclopentyl]propane-1-sulfonamide?
The IUPAC name of N-[(1S,3R)-3-ethyl-4-[(2Z)-2-(methylidenehydrazinylidene)-5H-pyrrolo[2,3-b]pyrazin-1-yl]cyclopentyl]propane-1-sulfonamide (CID 136643674) is N-[(1S,3R)-3-ethyl-4-[(2Z)-2-(methylidenehydrazinylidene)-5H-pyrrolo[2,3-b]pyrazin-1-yl]cyclopentyl]propane-1-sulfonamide.
What is the SMILES notation for N-[(1S,3R)-3-ethyl-4-[(2Z)-2-(methylidenehydrazinylidene)-5H-pyrrolo[2,3-b]pyrazin-1-yl]cyclopentyl]propane-1-sulfonamide?
The canonical SMILES for N-[(1S,3R)-3-ethyl-4-[(2Z)-2-(methylidenehydrazinylidene)-5H-pyrrolo[2,3-b]pyrazin-1-yl]cyclopentyl]propane-1-sulfonamide is C=N/N=c1/cnc2[nH]ccc2n1C1C[C@@H](NS(=O)(=O)CCC)C[C@H]1CC.
What is the InChIKey of N-[(1S,3R)-3-ethyl-4-[(2Z)-2-(methylidenehydrazinylidene)-5H-pyrrolo[2,3-b]pyrazin-1-yl]cyclopentyl]propane-1-sulfonamide?
The InChIKey is XAYHPOHXIGJXNL-UIZMJGNFSA-N. The full InChI is InChI=1S/C17H26N6O2S/c1-4-8-26(24,25)22-13-9-12(5-2)15(10-13)23-14-6-7-19-17(14)20-11-16(23)21-18-3/h6-7,11-13,15,19,22H,3-5,8-10H2,1-2H3/b21-16-/t12-,13+,15?/m1/s1.
What are the key properties of N-[(1S,3R)-3-ethyl-4-[(2Z)-2-(methylidenehydrazinylidene)-5H-pyrrolo[2,3-b]pyrazin-1-yl]cyclopentyl]propane-1-sulfonamide?
N-[(1S,3R)-3-ethyl-4-[(2Z)-2-(methylidenehydrazinylidene)-5H-pyrrolo[2,3-b]pyrazin-1-yl]cyclopentyl]propane-1-sulfonamide has a molecular weight of 378.50 g/mol, XLogP of 1.94, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3R)-3-ethyl-4-[(2Z)-2-(methylidenehydrazinylidene)-5H-pyrrolo[2,3-b]pyrazin-1-yl]cyclopentyl]propane-1-sulfonamide is sourced from PubChem (CID 136643674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).