N-(2-cyclopropylethyl)-5-(ethylamino)-4-nitrothiophene-2-sulfonamide

C11H17N3O4S2 — CID 80747604

IUPACN-(2-cyclopropylethyl)-5-(ethylamino)-4-nitrothiophene-2-sulfonamide
SMILESCCNc1sc(S(=O)(=O)NCCC2CC2)cc1[N+](=O)[O-]
InChIInChI=1S/C11H17N3O4S2/c1-2-12-11-9(14(15)16)7-10(19-11)20(17,18)13-6-5-8-3-4-8/h7-8,12-13H,2-6H2,1H3
InChIKeyFEEBFRLJERAKRP-UHFFFAOYSA-N
MW319.41 g/mol
LogP2.17
Rot. Bonds8

About N-(2-cyclopropylethyl)-5-(ethylamino)-4-nitrothiophene-2-sulfonamide

N-(2-cyclopropylethyl)-5-(ethylamino)-4-nitrothiophene-2-sulfonamide (PubChem CID 80747604) has the molecular formula C11H17N3O4S2 and a molecular weight of 319.41 g/mol. Its IUPAC name is N-(2-cyclopropylethyl)-5-(ethylamino)-4-nitrothiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-cyclopropylethyl)-5-(ethylamino)-4-nitrothiophene-2-sulfonamide
PubChem CID80747604
Molecular FormulaC11H17N3O4S2
Molecular Weight319.41 g/mol
Exact Mass319.07
IUPAC NameN-(2-cyclopropylethyl)-5-(ethylamino)-4-nitrothiophene-2-sulfonamide
SMILESCCNc1sc(S(=O)(=O)NCCC2CC2)cc1[N+](=O)[O-]
InChIInChI=1S/C11H17N3O4S2/c1-2-12-11-9(14(15)16)7-10(19-11)20(17,18)13-6-5-8-3-4-8/h7-8,12-13H,2-6H2,1H3
InChIKeyFEEBFRLJERAKRP-UHFFFAOYSA-N
XLogP2.17
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 52.17
H-Bond Donors ≤ 52
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-(ethylamino)-4-nitro-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide
CID 80731137
5-(ethylamino)-N-(2-methylsulfanylethyl)-4-nitrothiophene-2-sulfonamide
CID 80746711
3-[[5-(ethylamino)-4-nitrothiophen-2-yl]sulfonylamino]propanamide
CID 80747104
N-[2-[[5-(ethylamino)-4-nitrothiophen-2-yl]sulfonylamino]ethyl]acetamide
CID 80730943
N-cyclopentyl-5-(ethylamino)-4-nitrothiophene-2-sulfonamide
CID 80746261
5-amino-N-(2-cyclopentylethyl)-4-nitrothiophene-2-sulfonamide
CID 80746430
5-(ethylamino)-N-(3-methylbutan-2-yl)-4-nitrothiophene-2-sulfonamide
CID 80746591
5-(ethylamino)-4-nitro-N-phenylthiophene-2-sulfonamide
CID 80744740
5-(ethylamino)-N-morpholin-4-yl-4-nitrothiophene-2-sulfonamide
CID 83016233
N-tert-butyl-4-nitro-5-(propylamino)thiophene-2-sulfonamide
CID 80746901
5-(methylamino)-N-[(3-methylcyclopentyl)methyl]-4-nitrothiophene-2-sulfonamide
CID 107415149
5-(ethylamino)-N-hexan-3-yl-4-nitrothiophene-2-sulfonamide
CID 80730755

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropylethyl)-5-(ethylamino)-4-nitrothiophene-2-sulfonamide?
The IUPAC name of N-(2-cyclopropylethyl)-5-(ethylamino)-4-nitrothiophene-2-sulfonamide (CID 80747604) is N-(2-cyclopropylethyl)-5-(ethylamino)-4-nitrothiophene-2-sulfonamide.
What is the SMILES notation for N-(2-cyclopropylethyl)-5-(ethylamino)-4-nitrothiophene-2-sulfonamide?
The canonical SMILES for N-(2-cyclopropylethyl)-5-(ethylamino)-4-nitrothiophene-2-sulfonamide is CCNc1sc(S(=O)(=O)NCCC2CC2)cc1[N+](=O)[O-].
What is the InChIKey of N-(2-cyclopropylethyl)-5-(ethylamino)-4-nitrothiophene-2-sulfonamide?
The InChIKey is FEEBFRLJERAKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4S2/c1-2-12-11-9(14(15)16)7-10(19-11)20(17,18)13-6-5-8-3-4-8/h7-8,12-13H,2-6H2,1H3.
What are the key properties of N-(2-cyclopropylethyl)-5-(ethylamino)-4-nitrothiophene-2-sulfonamide?
N-(2-cyclopropylethyl)-5-(ethylamino)-4-nitrothiophene-2-sulfonamide has a molecular weight of 319.41 g/mol, XLogP of 2.17, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropylethyl)-5-(ethylamino)-4-nitrothiophene-2-sulfonamide is sourced from PubChem (CID 80747604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).