5-hydrazinyl-N-(2-hydroxypropyl)-N-methyl-4-nitrothiophene-2-sulfonamide

C8H14N4O5S2 — CID 80741936

IUPAC5-hydrazinyl-N-(2-hydroxypropyl)-N-methyl-4-nitrothiophene-2-sulfonamide
SMILESCC(O)CN(C)S(=O)(=O)c1cc([N+](=O)[O-])c(NN)s1
InChIInChI=1S/C8H14N4O5S2/c1-5(13)4-11(2)19(16,17)7-3-6(12(14)15)8(10-9)18-7/h3,5,10,13H,4,9H2,1-2H3
InChIKeyXBHAILVFESFJOI-UHFFFAOYSA-N
MW310.36 g/mol
LogP-0.06
Rot. Bonds6

About 5-hydrazinyl-N-(2-hydroxypropyl)-N-methyl-4-nitrothiophene-2-sulfonamide

5-hydrazinyl-N-(2-hydroxypropyl)-N-methyl-4-nitrothiophene-2-sulfonamide (PubChem CID 80741936) has the molecular formula C8H14N4O5S2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 5-hydrazinyl-N-(2-hydroxypropyl)-N-methyl-4-nitrothiophene-2-sulfonamide.

Molecular Properties

Compound Name5-hydrazinyl-N-(2-hydroxypropyl)-N-methyl-4-nitrothiophene-2-sulfonamide
PubChem CID80741936
Molecular FormulaC8H14N4O5S2
Molecular Weight310.36 g/mol
Exact Mass310.04
IUPAC Name5-hydrazinyl-N-(2-hydroxypropyl)-N-methyl-4-nitrothiophene-2-sulfonamide
SMILESCC(O)CN(C)S(=O)(=O)c1cc([N+](=O)[O-])c(NN)s1
InChIInChI=1S/C8H14N4O5S2/c1-5(13)4-11(2)19(16,17)7-3-6(12(14)15)8(10-9)18-7/h3,5,10,13H,4,9H2,1-2H3
InChIKeyXBHAILVFESFJOI-UHFFFAOYSA-N
XLogP-0.06
TPSA138.80 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 5-0.06
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

N-(2-hydroxypropyl)-N-methyl-4-nitro-5-(propylamino)thiophene-2-sulfonamide
CID 80731238
5-(ethylamino)-N-methyl-N-(2-methylbutyl)-4-nitrothiophene-2-sulfonamide
CID 80730931
N-(2-hydroxyethyl)-N-methyl-5-(methylamino)-4-nitrothiophene-2-sulfonamide
CID 80746275
5-hydrazinyl-N-(3-methylbutan-2-yl)-4-nitrothiophene-2-sulfonamide
CID 80741993
2-[(5-hydrazinyl-4-nitrothiophen-2-yl)sulfonylamino]-N-propan-2-ylacetamide
CID 80735155
5-hydrazinyl-N-methyl-4-nitro-N-(thiolan-3-yl)thiophene-2-sulfonamide
CID 80741598
5-amino-N-methyl-N-(3-methylbutyl)-4-nitrothiophene-2-sulfonamide
CID 80746926
N-(2-cyanoethyl)-N-ethyl-5-hydrazinyl-4-nitrothiophene-2-sulfonamide
CID 80741805
3-[(5-chloro-4-nitrothiophen-2-yl)sulfonyl-methylamino]-N,2-dimethylpropanamide
CID 106915188
4-(ethylamino)-N-(2-hydroxypropyl)-N-methyl-3-nitrobenzenesulfonamide
CID 62337410
5-(ethylamino)-N-methyl-4-nitro-N-pentan-3-ylthiophene-2-sulfonamide
CID 80730747
5-chloro-N-methyl-N-(3-methylbutyl)-4-nitrothiophene-2-sulfonamide
CID 80742645

Frequently Asked Questions

What is the IUPAC name of 5-hydrazinyl-N-(2-hydroxypropyl)-N-methyl-4-nitrothiophene-2-sulfonamide?
The IUPAC name of 5-hydrazinyl-N-(2-hydroxypropyl)-N-methyl-4-nitrothiophene-2-sulfonamide (CID 80741936) is 5-hydrazinyl-N-(2-hydroxypropyl)-N-methyl-4-nitrothiophene-2-sulfonamide.
What is the SMILES notation for 5-hydrazinyl-N-(2-hydroxypropyl)-N-methyl-4-nitrothiophene-2-sulfonamide?
The canonical SMILES for 5-hydrazinyl-N-(2-hydroxypropyl)-N-methyl-4-nitrothiophene-2-sulfonamide is CC(O)CN(C)S(=O)(=O)c1cc([N+](=O)[O-])c(NN)s1.
What is the InChIKey of 5-hydrazinyl-N-(2-hydroxypropyl)-N-methyl-4-nitrothiophene-2-sulfonamide?
The InChIKey is XBHAILVFESFJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O5S2/c1-5(13)4-11(2)19(16,17)7-3-6(12(14)15)8(10-9)18-7/h3,5,10,13H,4,9H2,1-2H3.
What are the key properties of 5-hydrazinyl-N-(2-hydroxypropyl)-N-methyl-4-nitrothiophene-2-sulfonamide?
5-hydrazinyl-N-(2-hydroxypropyl)-N-methyl-4-nitrothiophene-2-sulfonamide has a molecular weight of 310.36 g/mol, XLogP of -0.06, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydrazinyl-N-(2-hydroxypropyl)-N-methyl-4-nitrothiophene-2-sulfonamide is sourced from PubChem (CID 80741936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).