5-amino-N-ethyl-N-(2-methylpropyl)-4-nitrothiophene-2-sulfonamide

C10H17N3O4S2 — CID 80746593

IUPAC5-amino-N-ethyl-N-(2-methylpropyl)-4-nitrothiophene-2-sulfonamide
SMILESCCN(CC(C)C)S(=O)(=O)c1cc([N+](=O)[O-])c(N)s1
InChIInChI=1S/C10H17N3O4S2/c1-4-12(6-7(2)3)19(16,17)9-5-8(13(14)15)10(11)18-9/h5,7H,4,6,11H2,1-3H3
InChIKeyHVUZRJKQPOUJSB-UHFFFAOYSA-N
MW307.40 g/mol
LogP1.91
Rot. Bonds6

About 5-amino-N-ethyl-N-(2-methylpropyl)-4-nitrothiophene-2-sulfonamide

5-amino-N-ethyl-N-(2-methylpropyl)-4-nitrothiophene-2-sulfonamide (PubChem CID 80746593) has the molecular formula C10H17N3O4S2 and a molecular weight of 307.40 g/mol. Its IUPAC name is 5-amino-N-ethyl-N-(2-methylpropyl)-4-nitrothiophene-2-sulfonamide.

Molecular Properties

Compound Name5-amino-N-ethyl-N-(2-methylpropyl)-4-nitrothiophene-2-sulfonamide
PubChem CID80746593
Molecular FormulaC10H17N3O4S2
Molecular Weight307.40 g/mol
Exact Mass307.07
IUPAC Name5-amino-N-ethyl-N-(2-methylpropyl)-4-nitrothiophene-2-sulfonamide
SMILESCCN(CC(C)C)S(=O)(=O)c1cc([N+](=O)[O-])c(N)s1
InChIInChI=1S/C10H17N3O4S2/c1-4-12(6-7(2)3)19(16,17)9-5-8(13(14)15)10(11)18-9/h5,7H,4,6,11H2,1-3H3
InChIKeyHVUZRJKQPOUJSB-UHFFFAOYSA-N
XLogP1.91
TPSA106.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-ethyl-4-nitro-N-propylthiophene-2-sulfonamide
CID 80746267
5-amino-N-methyl-N-(3-methylbutyl)-4-nitrothiophene-2-sulfonamide
CID 80746926
5-amino-N-(1-cyanopropan-2-yl)-N-methyl-4-nitrothiophene-2-sulfonamide
CID 80747421
5-amino-N-butan-2-yl-N-(2-methoxyethyl)-4-nitrothiophene-2-sulfonamide
CID 80730693
5-amino-N-ethyl-4-nitrothiophene-2-sulfonamide
CID 80747001
N-ethyl-4-(methylamino)-N-(2-methylpropyl)-3-nitrobenzenesulfonamide
CID 62144129
5-amino-N-[2-(diethylamino)ethyl]-4-nitrothiophene-2-sulfonamide
CID 80746263
5-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]-4-nitrothiophene-2-sulfonamide
CID 80747419
5-amino-N',N'-dimethyl-4-nitrothiophene-2-sulfonohydrazide
CID 83023425
3-amino-N-ethyl-1-methyl-N-(2-methylpropyl)pyrazole-4-sulfonamide
CID 60810084
5-amino-N-(1-ethoxypropan-2-yl)-4-nitrothiophene-2-sulfonamide
CID 80747699
N-ethyl-5-(ethylamino)-4-nitro-N-propylthiophene-2-sulfonamide
CID 80746350

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-ethyl-N-(2-methylpropyl)-4-nitrothiophene-2-sulfonamide?
The IUPAC name of 5-amino-N-ethyl-N-(2-methylpropyl)-4-nitrothiophene-2-sulfonamide (CID 80746593) is 5-amino-N-ethyl-N-(2-methylpropyl)-4-nitrothiophene-2-sulfonamide.
What is the SMILES notation for 5-amino-N-ethyl-N-(2-methylpropyl)-4-nitrothiophene-2-sulfonamide?
The canonical SMILES for 5-amino-N-ethyl-N-(2-methylpropyl)-4-nitrothiophene-2-sulfonamide is CCN(CC(C)C)S(=O)(=O)c1cc([N+](=O)[O-])c(N)s1.
What is the InChIKey of 5-amino-N-ethyl-N-(2-methylpropyl)-4-nitrothiophene-2-sulfonamide?
The InChIKey is HVUZRJKQPOUJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4S2/c1-4-12(6-7(2)3)19(16,17)9-5-8(13(14)15)10(11)18-9/h5,7H,4,6,11H2,1-3H3.
What are the key properties of 5-amino-N-ethyl-N-(2-methylpropyl)-4-nitrothiophene-2-sulfonamide?
5-amino-N-ethyl-N-(2-methylpropyl)-4-nitrothiophene-2-sulfonamide has a molecular weight of 307.40 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-ethyl-N-(2-methylpropyl)-4-nitrothiophene-2-sulfonamide is sourced from PubChem (CID 80746593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).