5-amino-N-ethyl-4-nitro-N-propylthiophene-2-sulfonamide

C9H15N3O4S2 — CID 80746267

IUPAC5-amino-N-ethyl-4-nitro-N-propylthiophene-2-sulfonamide
SMILESCCCN(CC)S(=O)(=O)c1cc([N+](=O)[O-])c(N)s1
InChIInChI=1S/C9H15N3O4S2/c1-3-5-11(4-2)18(15,16)8-6-7(12(13)14)9(10)17-8/h6H,3-5,10H2,1-2H3
InChIKeyRTMAWCMPMSOXAT-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.66
Rot. Bonds6

About 5-amino-N-ethyl-4-nitro-N-propylthiophene-2-sulfonamide

5-amino-N-ethyl-4-nitro-N-propylthiophene-2-sulfonamide (PubChem CID 80746267) has the molecular formula C9H15N3O4S2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 5-amino-N-ethyl-4-nitro-N-propylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-amino-N-ethyl-4-nitro-N-propylthiophene-2-sulfonamide
PubChem CID80746267
Molecular FormulaC9H15N3O4S2
Molecular Weight293.37 g/mol
Exact Mass293.05
IUPAC Name5-amino-N-ethyl-4-nitro-N-propylthiophene-2-sulfonamide
SMILESCCCN(CC)S(=O)(=O)c1cc([N+](=O)[O-])c(N)s1
InChIInChI=1S/C9H15N3O4S2/c1-3-5-11(4-2)18(15,16)8-6-7(12(13)14)9(10)17-8/h6H,3-5,10H2,1-2H3
InChIKeyRTMAWCMPMSOXAT-UHFFFAOYSA-N
XLogP1.66
TPSA106.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.66
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-N-(2-methylpropyl)-4-nitrothiophene-2-sulfonamide
CID 80746593
N-ethyl-5-(ethylamino)-4-nitro-N-propylthiophene-2-sulfonamide
CID 80746350
5-amino-N-methyl-N-(3-methylbutyl)-4-nitrothiophene-2-sulfonamide
CID 80746926
5-amino-N-[2-(diethylamino)ethyl]-4-nitrothiophene-2-sulfonamide
CID 80746263
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-(2-cyanoethyl)-N-ethyl-5-hydrazinyl-4-nitrothiophene-2-sulfonamide
CID 80741805
5-amino-N-(1-cyanopropan-2-yl)-N-methyl-4-nitrothiophene-2-sulfonamide
CID 80747421
5-amino-N-[2-(dimethylamino)ethyl]-4-nitrothiophene-2-sulfonamide
CID 80746787
5-amino-N',N'-dimethyl-4-nitrothiophene-2-sulfonohydrazide
CID 83023425
5-amino-N-methyl-4-nitro-N-(2-thiophen-2-ylethyl)thiophene-2-sulfonamide
CID 80728258
5-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]-4-nitrothiophene-2-sulfonamide
CID 80747419

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-ethyl-4-nitro-N-propylthiophene-2-sulfonamide?
The IUPAC name of 5-amino-N-ethyl-4-nitro-N-propylthiophene-2-sulfonamide (CID 80746267) is 5-amino-N-ethyl-4-nitro-N-propylthiophene-2-sulfonamide.
What is the SMILES notation for 5-amino-N-ethyl-4-nitro-N-propylthiophene-2-sulfonamide?
The canonical SMILES for 5-amino-N-ethyl-4-nitro-N-propylthiophene-2-sulfonamide is CCCN(CC)S(=O)(=O)c1cc([N+](=O)[O-])c(N)s1.
What is the InChIKey of 5-amino-N-ethyl-4-nitro-N-propylthiophene-2-sulfonamide?
The InChIKey is RTMAWCMPMSOXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O4S2/c1-3-5-11(4-2)18(15,16)8-6-7(12(13)14)9(10)17-8/h6H,3-5,10H2,1-2H3.
What are the key properties of 5-amino-N-ethyl-4-nitro-N-propylthiophene-2-sulfonamide?
5-amino-N-ethyl-4-nitro-N-propylthiophene-2-sulfonamide has a molecular weight of 293.37 g/mol, XLogP of 1.66, 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-4-nitro-N-propylthiophene-2-sulfonamide is sourced from PubChem (CID 80746267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).