5-amino-N-[2-(dimethylamino)ethyl]-4-nitrothiophene-2-sulfonamide

C8H14N4O4S2 — CID 80746787

IUPAC5-amino-N-[2-(dimethylamino)ethyl]-4-nitrothiophene-2-sulfonamide
SMILESCN(C)CCNS(=O)(=O)c1cc([N+](=O)[O-])c(N)s1
InChIInChI=1S/C8H14N4O4S2/c1-11(2)4-3-10-18(15,16)7-5-6(12(13)14)8(9)17-7/h5,10H,3-4,9H2,1-2H3
InChIKeyHELRUKNIPIMZLV-UHFFFAOYSA-N
MW294.36 g/mol
LogP0.08
Rot. Bonds6

About 5-amino-N-[2-(dimethylamino)ethyl]-4-nitrothiophene-2-sulfonamide

5-amino-N-[2-(dimethylamino)ethyl]-4-nitrothiophene-2-sulfonamide (PubChem CID 80746787) has the molecular formula C8H14N4O4S2 and a molecular weight of 294.36 g/mol. Its IUPAC name is 5-amino-N-[2-(dimethylamino)ethyl]-4-nitrothiophene-2-sulfonamide.

Molecular Properties

Compound Name5-amino-N-[2-(dimethylamino)ethyl]-4-nitrothiophene-2-sulfonamide
PubChem CID80746787
Molecular FormulaC8H14N4O4S2
Molecular Weight294.36 g/mol
Exact Mass294.05
IUPAC Name5-amino-N-[2-(dimethylamino)ethyl]-4-nitrothiophene-2-sulfonamide
SMILESCN(C)CCNS(=O)(=O)c1cc([N+](=O)[O-])c(N)s1
InChIInChI=1S/C8H14N4O4S2/c1-11(2)4-3-10-18(15,16)7-5-6(12(13)14)8(9)17-7/h5,10H,3-4,9H2,1-2H3
InChIKeyHELRUKNIPIMZLV-UHFFFAOYSA-N
XLogP0.08
TPSA118.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-[2-[methyl(propan-2-yl)amino]ethyl]-4-nitrothiophene-2-sulfonamide
CID 80747419
5-amino-N-[2-(diethylamino)ethyl]-4-nitrothiophene-2-sulfonamide
CID 80746263
5-amino-N-ethyl-4-nitrothiophene-2-sulfonamide
CID 80747001
5-amino-N',N'-dimethyl-4-nitrothiophene-2-sulfonohydrazide
CID 83023425
2-[(5-amino-4-nitrothiophen-2-yl)sulfonylamino]ethylurea
CID 83114819
5-amino-4-nitro-N-[2-(trifluoromethylsulfanyl)ethyl]thiophene-2-sulfonamide
CID 106432828
5-amino-N-(2-cyclopentylethyl)-4-nitrothiophene-2-sulfonamide
CID 80746430
5-amino-4-nitro-N-(5,5,5-trifluoropentyl)thiophene-2-sulfonamide
CID 115522052
5-amino-4-nitro-N-(2-piperidin-1-ylethyl)thiophene-2-sulfonamide
CID 80731215
5-amino-4-nitro-N-(2-pyridin-4-ylethyl)thiophene-2-sulfonamide
CID 80730553
5-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-nitrothiophene-2-sulfonamide
CID 106049683
4-amino-N-[2-(dimethylamino)ethyl]-3-nitrobenzenesulfonamide
CID 43244697

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-(dimethylamino)ethyl]-4-nitrothiophene-2-sulfonamide?
The IUPAC name of 5-amino-N-[2-(dimethylamino)ethyl]-4-nitrothiophene-2-sulfonamide (CID 80746787) is 5-amino-N-[2-(dimethylamino)ethyl]-4-nitrothiophene-2-sulfonamide.
What is the SMILES notation for 5-amino-N-[2-(dimethylamino)ethyl]-4-nitrothiophene-2-sulfonamide?
The canonical SMILES for 5-amino-N-[2-(dimethylamino)ethyl]-4-nitrothiophene-2-sulfonamide is CN(C)CCNS(=O)(=O)c1cc([N+](=O)[O-])c(N)s1.
What is the InChIKey of 5-amino-N-[2-(dimethylamino)ethyl]-4-nitrothiophene-2-sulfonamide?
The InChIKey is HELRUKNIPIMZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O4S2/c1-11(2)4-3-10-18(15,16)7-5-6(12(13)14)8(9)17-7/h5,10H,3-4,9H2,1-2H3.
What are the key properties of 5-amino-N-[2-(dimethylamino)ethyl]-4-nitrothiophene-2-sulfonamide?
5-amino-N-[2-(dimethylamino)ethyl]-4-nitrothiophene-2-sulfonamide has a molecular weight of 294.36 g/mol, XLogP of 0.08, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[2-(dimethylamino)ethyl]-4-nitrothiophene-2-sulfonamide is sourced from PubChem (CID 80746787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).