N-ethyl-5-(ethylamino)-4-nitro-N-propylthiophene-2-sulfonamide

C11H19N3O4S2 — CID 80746350

IUPACN-ethyl-5-(ethylamino)-4-nitro-N-propylthiophene-2-sulfonamide
SMILESCCCN(CC)S(=O)(=O)c1cc([N+](=O)[O-])c(NCC)s1
InChIInChI=1S/C11H19N3O4S2/c1-4-7-13(6-3)20(17,18)10-8-9(14(15)16)11(19-10)12-5-2/h8,12H,4-7H2,1-3H3
InChIKeyHELNDPLFQMUECJ-UHFFFAOYSA-N
MW321.42 g/mol
LogP2.51
Rot. Bonds8

About N-ethyl-5-(ethylamino)-4-nitro-N-propylthiophene-2-sulfonamide

N-ethyl-5-(ethylamino)-4-nitro-N-propylthiophene-2-sulfonamide (PubChem CID 80746350) has the molecular formula C11H19N3O4S2 and a molecular weight of 321.42 g/mol. Its IUPAC name is N-ethyl-5-(ethylamino)-4-nitro-N-propylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-ethyl-5-(ethylamino)-4-nitro-N-propylthiophene-2-sulfonamide
PubChem CID80746350
Molecular FormulaC11H19N3O4S2
Molecular Weight321.42 g/mol
Exact Mass321.08
IUPAC NameN-ethyl-5-(ethylamino)-4-nitro-N-propylthiophene-2-sulfonamide
SMILESCCCN(CC)S(=O)(=O)c1cc([N+](=O)[O-])c(NCC)s1
InChIInChI=1S/C11H19N3O4S2/c1-4-7-13(6-3)20(17,18)10-8-9(14(15)16)11(19-10)12-5-2/h8,12H,4-7H2,1-3H3
InChIKeyHELNDPLFQMUECJ-UHFFFAOYSA-N
XLogP2.51
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 52.51
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
N-butan-2-yl-N-ethyl-5-(ethylamino)-4-nitrothiophene-2-sulfonamide
CID 80730735
5-(ethylamino)-N-methyl-4-nitro-N-pentan-3-ylthiophene-2-sulfonamide
CID 80730747
N-(2-cyanoethyl)-N-ethyl-5-hydrazinyl-4-nitrothiophene-2-sulfonamide
CID 80741805
5-(ethylamino)-N-methyl-N-(2-methylbutyl)-4-nitrothiophene-2-sulfonamide
CID 80730931
N-(cyclopropylmethyl)-N-ethyl-5-(methylamino)-4-nitrothiophene-2-sulfonamide
CID 80746371
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-hexan-3-yl-4-nitrothiophene-2-sulfonamide
CID 80730755
3-[[5-(ethylamino)-4-nitrothiophen-2-yl]sulfonylamino]propanamide
CID 80747104
N-cyclopentyl-5-(ethylamino)-4-nitrothiophene-2-sulfonamide
CID 80746261
5-(ethylamino)-N-(2-methylsulfanylethyl)-4-nitrothiophene-2-sulfonamide
CID 80746711

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(ethylamino)-4-nitro-N-propylthiophene-2-sulfonamide?
The IUPAC name of N-ethyl-5-(ethylamino)-4-nitro-N-propylthiophene-2-sulfonamide (CID 80746350) is N-ethyl-5-(ethylamino)-4-nitro-N-propylthiophene-2-sulfonamide.
What is the SMILES notation for N-ethyl-5-(ethylamino)-4-nitro-N-propylthiophene-2-sulfonamide?
The canonical SMILES for N-ethyl-5-(ethylamino)-4-nitro-N-propylthiophene-2-sulfonamide is CCCN(CC)S(=O)(=O)c1cc([N+](=O)[O-])c(NCC)s1.
What is the InChIKey of N-ethyl-5-(ethylamino)-4-nitro-N-propylthiophene-2-sulfonamide?
The InChIKey is HELNDPLFQMUECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4S2/c1-4-7-13(6-3)20(17,18)10-8-9(14(15)16)11(19-10)12-5-2/h8,12H,4-7H2,1-3H3.
What are the key properties of N-ethyl-5-(ethylamino)-4-nitro-N-propylthiophene-2-sulfonamide?
N-ethyl-5-(ethylamino)-4-nitro-N-propylthiophene-2-sulfonamide has a molecular weight of 321.42 g/mol, XLogP of 2.51, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(ethylamino)-4-nitro-N-propylthiophene-2-sulfonamide is sourced from PubChem (CID 80746350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).