5-hydrazinyl-N-(3-methylbutan-2-yl)-4-nitrothiophene-2-sulfonamide

C9H16N4O4S2 — CID 80741993

IUPAC5-hydrazinyl-N-(3-methylbutan-2-yl)-4-nitrothiophene-2-sulfonamide
SMILESCC(C)C(C)NS(=O)(=O)c1cc([N+](=O)[O-])c(NN)s1
InChIInChI=1S/C9H16N4O4S2/c1-5(2)6(3)12-19(16,17)8-4-7(13(14)15)9(11-10)18-8/h4-6,11-12H,10H2,1-3H3
InChIKeyWNKBNUZYRLPXKI-UHFFFAOYSA-N
MW308.39 g/mol
LogP1.26
Rot. Bonds6

About 5-hydrazinyl-N-(3-methylbutan-2-yl)-4-nitrothiophene-2-sulfonamide

5-hydrazinyl-N-(3-methylbutan-2-yl)-4-nitrothiophene-2-sulfonamide (PubChem CID 80741993) has the molecular formula C9H16N4O4S2 and a molecular weight of 308.39 g/mol. Its IUPAC name is 5-hydrazinyl-N-(3-methylbutan-2-yl)-4-nitrothiophene-2-sulfonamide.

Molecular Properties

Compound Name5-hydrazinyl-N-(3-methylbutan-2-yl)-4-nitrothiophene-2-sulfonamide
PubChem CID80741993
Molecular FormulaC9H16N4O4S2
Molecular Weight308.39 g/mol
Exact Mass308.06
IUPAC Name5-hydrazinyl-N-(3-methylbutan-2-yl)-4-nitrothiophene-2-sulfonamide
SMILESCC(C)C(C)NS(=O)(=O)c1cc([N+](=O)[O-])c(NN)s1
InChIInChI=1S/C9H16N4O4S2/c1-5(2)6(3)12-19(16,17)8-4-7(13(14)15)9(11-10)18-8/h4-6,11-12H,10H2,1-3H3
InChIKeyWNKBNUZYRLPXKI-UHFFFAOYSA-N
XLogP1.26
TPSA127.36 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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-(ethylamino)-N-(3-methylbutan-2-yl)-4-nitrothiophene-2-sulfonamide
CID 80746591
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-hydrazinyl-N-(3-methylphenyl)-4-nitrothiophene-2-sulfonamide
CID 80735593
5-hydrazinyl-N-(2-hydroxypropyl)-N-methyl-4-nitrothiophene-2-sulfonamide
CID 80741936
5-hydrazinyl-4-nitro-N-(oxan-4-yl)thiophene-2-sulfonamide
CID 80742192
5-(methylamino)-4-nitro-N-pentan-2-ylthiophene-2-sulfonamide
CID 80746992
5-methylsulfonyl-3-nitro-N-propan-2-ylthiophen-2-amine
CID 133451144
5-hydrazinyl-N-(2-methyl-4-pyridinyl)-4-nitrothiophene-2-sulfonamide
CID 80745589
N-(5-bromopyrazin-2-yl)-5-hydrazinyl-4-nitrothiophene-2-sulfonamide
CID 80745979
5-hydrazinyl-4-nitro-N-(oxan-4-ylmethyl)thiophene-2-sulfonamide
CID 80744883
N-(1-ethoxypropan-2-yl)-5-(ethylamino)-4-nitrothiophene-2-sulfonamide
CID 80731435

Frequently Asked Questions

What is the IUPAC name of 5-hydrazinyl-N-(3-methylbutan-2-yl)-4-nitrothiophene-2-sulfonamide?
The IUPAC name of 5-hydrazinyl-N-(3-methylbutan-2-yl)-4-nitrothiophene-2-sulfonamide (CID 80741993) is 5-hydrazinyl-N-(3-methylbutan-2-yl)-4-nitrothiophene-2-sulfonamide.
What is the SMILES notation for 5-hydrazinyl-N-(3-methylbutan-2-yl)-4-nitrothiophene-2-sulfonamide?
The canonical SMILES for 5-hydrazinyl-N-(3-methylbutan-2-yl)-4-nitrothiophene-2-sulfonamide is CC(C)C(C)NS(=O)(=O)c1cc([N+](=O)[O-])c(NN)s1.
What is the InChIKey of 5-hydrazinyl-N-(3-methylbutan-2-yl)-4-nitrothiophene-2-sulfonamide?
The InChIKey is WNKBNUZYRLPXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O4S2/c1-5(2)6(3)12-19(16,17)8-4-7(13(14)15)9(11-10)18-8/h4-6,11-12H,10H2,1-3H3.
What are the key properties of 5-hydrazinyl-N-(3-methylbutan-2-yl)-4-nitrothiophene-2-sulfonamide?
5-hydrazinyl-N-(3-methylbutan-2-yl)-4-nitrothiophene-2-sulfonamide has a molecular weight of 308.39 g/mol, XLogP of 1.26, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydrazinyl-N-(3-methylbutan-2-yl)-4-nitrothiophene-2-sulfonamide is sourced from PubChem (CID 80741993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).