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

C10H16N4O5S2 — CID 80744883

IUPAC5-hydrazinyl-4-nitro-N-(oxan-4-ylmethyl)thiophene-2-sulfonamide
SMILESNNc1sc(S(=O)(=O)NCC2CCOCC2)cc1[N+](=O)[O-]
InChIInChI=1S/C10H16N4O5S2/c11-13-10-8(14(15)16)5-9(20-10)21(17,18)12-6-7-1-3-19-4-2-7/h5,7,12-13H,1-4,6,11H2
InChIKeyWXGWOQPRJXIZBA-UHFFFAOYSA-N
MW336.40 g/mol
LogP0.65
Rot. Bonds6

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

5-hydrazinyl-4-nitro-N-(oxan-4-ylmethyl)thiophene-2-sulfonamide (PubChem CID 80744883) has the molecular formula C10H16N4O5S2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 5-hydrazinyl-4-nitro-N-(oxan-4-ylmethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-hydrazinyl-4-nitro-N-(oxan-4-ylmethyl)thiophene-2-sulfonamide
PubChem CID80744883
Molecular FormulaC10H16N4O5S2
Molecular Weight336.40 g/mol
Exact Mass336.06
IUPAC Name5-hydrazinyl-4-nitro-N-(oxan-4-ylmethyl)thiophene-2-sulfonamide
SMILESNNc1sc(S(=O)(=O)NCC2CCOCC2)cc1[N+](=O)[O-]
InChIInChI=1S/C10H16N4O5S2/c11-13-10-8(14(15)16)5-9(20-10)21(17,18)12-6-7-1-3-19-4-2-7/h5,7,12-13H,1-4,6,11H2
InChIKeyWXGWOQPRJXIZBA-UHFFFAOYSA-N
XLogP0.65
TPSA136.59 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 50.65
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-(oxolan-2-ylmethyl)thiophene-2-sulfonamide
CID 80741793
5-hydrazinyl-4-nitro-N-(oxan-4-yl)thiophene-2-sulfonamide
CID 80742192
5-(methylamino)-N-[(3-methylcyclopentyl)methyl]-4-nitrothiophene-2-sulfonamide
CID 107415149
(5-morpholin-4-ylsulfonyl-3-nitrothiophen-2-yl)hydrazine
CID 80742394
5-hydrazinyl-4-nitro-N-[1-(oxolan-2-yl)ethyl]thiophene-2-sulfonamide
CID 80736252
2-[(5-hydrazinyl-4-nitrothiophen-2-yl)sulfonylamino]-N-propan-2-ylacetamide
CID 80735155
5-(methylamino)-4-nitro-N-(thian-2-ylmethyl)thiophene-2-sulfonamide
CID 80728268
2-amino-4-nitro-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 63706934
5-hydrazinyl-4-nitro-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-2-sulfonamide
CID 80744778
5-hydrazinyl-N-(3-methylbutan-2-yl)-4-nitrothiophene-2-sulfonamide
CID 80741993
N-(2-cyclopropylethyl)-5-(ethylamino)-4-nitrothiophene-2-sulfonamide
CID 80747604
5-amino-N-[(1-methylpiperidin-3-yl)methyl]-4-nitrothiophene-2-sulfonamide
CID 80731331

Frequently Asked Questions

What is the IUPAC name of 5-hydrazinyl-4-nitro-N-(oxan-4-ylmethyl)thiophene-2-sulfonamide?
The IUPAC name of 5-hydrazinyl-4-nitro-N-(oxan-4-ylmethyl)thiophene-2-sulfonamide (CID 80744883) is 5-hydrazinyl-4-nitro-N-(oxan-4-ylmethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-hydrazinyl-4-nitro-N-(oxan-4-ylmethyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-hydrazinyl-4-nitro-N-(oxan-4-ylmethyl)thiophene-2-sulfonamide is NNc1sc(S(=O)(=O)NCC2CCOCC2)cc1[N+](=O)[O-].
What is the InChIKey of 5-hydrazinyl-4-nitro-N-(oxan-4-ylmethyl)thiophene-2-sulfonamide?
The InChIKey is WXGWOQPRJXIZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O5S2/c11-13-10-8(14(15)16)5-9(20-10)21(17,18)12-6-7-1-3-19-4-2-7/h5,7,12-13H,1-4,6,11H2.
What are the key properties of 5-hydrazinyl-4-nitro-N-(oxan-4-ylmethyl)thiophene-2-sulfonamide?
5-hydrazinyl-4-nitro-N-(oxan-4-ylmethyl)thiophene-2-sulfonamide has a molecular weight of 336.40 g/mol, XLogP of 0.65, 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-(oxan-4-ylmethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 80744883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).