5-hydrazinyl-4-nitro-N-(oxolan-2-ylmethyl)thiophene-2-sulfonamide

C9H14N4O5S2 — CID 80741793

IUPAC5-hydrazinyl-4-nitro-N-(oxolan-2-ylmethyl)thiophene-2-sulfonamide
SMILESNNc1sc(S(=O)(=O)NCC2CCCO2)cc1[N+](=O)[O-]
InChIInChI=1S/C9H14N4O5S2/c10-12-9-7(13(14)15)4-8(19-9)20(16,17)11-5-6-2-1-3-18-6/h4,6,11-12H,1-3,5,10H2
InChIKeyWRWZTUDHEQMNSM-UHFFFAOYSA-N
MW322.37 g/mol
LogP0.40
Rot. Bonds6

About 5-hydrazinyl-4-nitro-N-(oxolan-2-ylmethyl)thiophene-2-sulfonamide

5-hydrazinyl-4-nitro-N-(oxolan-2-ylmethyl)thiophene-2-sulfonamide (PubChem CID 80741793) has the molecular formula C9H14N4O5S2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 5-hydrazinyl-4-nitro-N-(oxolan-2-ylmethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-hydrazinyl-4-nitro-N-(oxolan-2-ylmethyl)thiophene-2-sulfonamide
PubChem CID80741793
Molecular FormulaC9H14N4O5S2
Molecular Weight322.37 g/mol
Exact Mass322.04
IUPAC Name5-hydrazinyl-4-nitro-N-(oxolan-2-ylmethyl)thiophene-2-sulfonamide
SMILESNNc1sc(S(=O)(=O)NCC2CCCO2)cc1[N+](=O)[O-]
InChIInChI=1S/C9H14N4O5S2/c10-12-9-7(13(14)15)4-8(19-9)20(16,17)11-5-6-2-1-3-18-6/h4,6,11-12H,1-3,5,10H2
InChIKeyWRWZTUDHEQMNSM-UHFFFAOYSA-N
XLogP0.40
TPSA136.59 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

5-hydrazinyl-4-nitro-N-[1-(oxolan-2-yl)ethyl]thiophene-2-sulfonamide
CID 80736252
5-hydrazinyl-4-nitro-N-(oxan-4-yl)thiophene-2-sulfonamide
CID 80742192
3-amino-4-nitro-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 82854404
4-methyl-3-nitro-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 7427449
4-fluoro-3-methyl-5-nitro-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 115421786
2-[(5-hydrazinyl-4-nitrothiophen-2-yl)sulfonylamino]-N-propan-2-ylacetamide
CID 80735155
2-methyl-3-nitro-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 35289468
5-chloro-N-(morpholin-2-ylmethyl)-4-nitrothiophene-2-sulfonamide
CID 115323938
5-(2-aminoethyl)-N-(oxolan-2-ylmethyl)thiophene-2-sulfonamide
CID 43520923
5-(methylamino)-N-[(3-methylcyclopentyl)methyl]-4-nitrothiophene-2-sulfonamide
CID 107415149
(5-morpholin-4-ylsulfonyl-3-nitrothiophen-2-yl)hydrazine
CID 80742394
5-amino-N-[(1,1-dioxothiolan-2-yl)methyl]-4-nitrothiophene-2-sulfonamide
CID 81043065

Frequently Asked Questions

What is the IUPAC name of 5-hydrazinyl-4-nitro-N-(oxolan-2-ylmethyl)thiophene-2-sulfonamide?
The IUPAC name of 5-hydrazinyl-4-nitro-N-(oxolan-2-ylmethyl)thiophene-2-sulfonamide (CID 80741793) is 5-hydrazinyl-4-nitro-N-(oxolan-2-ylmethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-hydrazinyl-4-nitro-N-(oxolan-2-ylmethyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-hydrazinyl-4-nitro-N-(oxolan-2-ylmethyl)thiophene-2-sulfonamide is NNc1sc(S(=O)(=O)NCC2CCCO2)cc1[N+](=O)[O-].
What is the InChIKey of 5-hydrazinyl-4-nitro-N-(oxolan-2-ylmethyl)thiophene-2-sulfonamide?
The InChIKey is WRWZTUDHEQMNSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O5S2/c10-12-9-7(13(14)15)4-8(19-9)20(16,17)11-5-6-2-1-3-18-6/h4,6,11-12H,1-3,5,10H2.
What are the key properties of 5-hydrazinyl-4-nitro-N-(oxolan-2-ylmethyl)thiophene-2-sulfonamide?
5-hydrazinyl-4-nitro-N-(oxolan-2-ylmethyl)thiophene-2-sulfonamide has a molecular weight of 322.37 g/mol, XLogP of 0.40, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydrazinyl-4-nitro-N-(oxolan-2-ylmethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 80741793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).