5-amino-4-nitro-N-(2-piperidin-1-ylethyl)thiophene-2-sulfonamide

C11H18N4O4S2 — CID 80731215

IUPAC5-amino-4-nitro-N-(2-piperidin-1-ylethyl)thiophene-2-sulfonamide
SMILESNc1sc(S(=O)(=O)NCCN2CCCCC2)cc1[N+](=O)[O-]
InChIInChI=1S/C11H18N4O4S2/c12-11-9(15(16)17)8-10(20-11)21(18,19)13-4-7-14-5-2-1-3-6-14/h8,13H,1-7,12H2
InChIKeyRMNQSIUCKNLURT-UHFFFAOYSA-N
MW334.42 g/mol
LogP1.00
Rot. Bonds6

About 5-amino-4-nitro-N-(2-piperidin-1-ylethyl)thiophene-2-sulfonamide

5-amino-4-nitro-N-(2-piperidin-1-ylethyl)thiophene-2-sulfonamide (PubChem CID 80731215) has the molecular formula C11H18N4O4S2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 5-amino-4-nitro-N-(2-piperidin-1-ylethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-amino-4-nitro-N-(2-piperidin-1-ylethyl)thiophene-2-sulfonamide
PubChem CID80731215
Molecular FormulaC11H18N4O4S2
Molecular Weight334.42 g/mol
Exact Mass334.08
IUPAC Name5-amino-4-nitro-N-(2-piperidin-1-ylethyl)thiophene-2-sulfonamide
SMILESNc1sc(S(=O)(=O)NCCN2CCCCC2)cc1[N+](=O)[O-]
InChIInChI=1S/C11H18N4O4S2/c12-11-9(15(16)17)8-10(20-11)21(18,19)13-4-7-14-5-2-1-3-6-14/h8,13H,1-7,12H2
InChIKeyRMNQSIUCKNLURT-UHFFFAOYSA-N
XLogP1.00
TPSA118.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.00
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-cyclopentylethyl)-4-nitrothiophene-2-sulfonamide
CID 80746430
5-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-nitrothiophene-2-sulfonamide
CID 80744951
5-amino-N-ethyl-4-nitrothiophene-2-sulfonamide
CID 80747001
5-amino-N-[2-(dimethylamino)ethyl]-4-nitrothiophene-2-sulfonamide
CID 80746787
2-[(5-amino-4-nitrothiophen-2-yl)sulfonylamino]ethylurea
CID 83114819
5-amino-N-[(1-methylpiperidin-3-yl)methyl]-4-nitrothiophene-2-sulfonamide
CID 80731331
5-amino-N-(3-imidazol-1-ylpropyl)-4-nitrothiophene-2-sulfonamide
CID 80730323
5-amino-N-(2,2-dicyclopropylethyl)-4-nitrothiophene-2-sulfonamide
CID 80727843
5-amino-N-[2-(diethylamino)ethyl]-4-nitrothiophene-2-sulfonamide
CID 80746263
5-amino-4-nitro-N-[2-(trifluoromethylsulfanyl)ethyl]thiophene-2-sulfonamide
CID 106432828
5-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]-4-nitrothiophene-2-sulfonamide
CID 80747419
5-amino-4-nitro-N-(5,5,5-trifluoropentyl)thiophene-2-sulfonamide
CID 115522052

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-nitro-N-(2-piperidin-1-ylethyl)thiophene-2-sulfonamide?
The IUPAC name of 5-amino-4-nitro-N-(2-piperidin-1-ylethyl)thiophene-2-sulfonamide (CID 80731215) is 5-amino-4-nitro-N-(2-piperidin-1-ylethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-amino-4-nitro-N-(2-piperidin-1-ylethyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-amino-4-nitro-N-(2-piperidin-1-ylethyl)thiophene-2-sulfonamide is Nc1sc(S(=O)(=O)NCCN2CCCCC2)cc1[N+](=O)[O-].
What is the InChIKey of 5-amino-4-nitro-N-(2-piperidin-1-ylethyl)thiophene-2-sulfonamide?
The InChIKey is RMNQSIUCKNLURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O4S2/c12-11-9(15(16)17)8-10(20-11)21(18,19)13-4-7-14-5-2-1-3-6-14/h8,13H,1-7,12H2.
What are the key properties of 5-amino-4-nitro-N-(2-piperidin-1-ylethyl)thiophene-2-sulfonamide?
5-amino-4-nitro-N-(2-piperidin-1-ylethyl)thiophene-2-sulfonamide has a molecular weight of 334.42 g/mol, XLogP of 1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-nitro-N-(2-piperidin-1-ylethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 80731215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).