5-(ethylamino)-N-morpholin-4-yl-4-nitrothiophene-2-sulfonamide

C10H16N4O5S2 — CID 83016233

IUPAC5-(ethylamino)-N-morpholin-4-yl-4-nitrothiophene-2-sulfonamide
SMILESCCNc1sc(S(=O)(=O)NN2CCOCC2)cc1[N+](=O)[O-]
InChIInChI=1S/C10H16N4O5S2/c1-2-11-10-8(14(15)16)7-9(20-10)21(17,18)12-13-3-5-19-6-4-13/h7,11-12H,2-6H2,1H3
InChIKeyKLAUWRWNWFWJDU-UHFFFAOYSA-N
MW336.40 g/mol
LogP0.61
Rot. Bonds6

About 5-(ethylamino)-N-morpholin-4-yl-4-nitrothiophene-2-sulfonamide

5-(ethylamino)-N-morpholin-4-yl-4-nitrothiophene-2-sulfonamide (PubChem CID 83016233) has the molecular formula C10H16N4O5S2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 5-(ethylamino)-N-morpholin-4-yl-4-nitrothiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(ethylamino)-N-morpholin-4-yl-4-nitrothiophene-2-sulfonamide
PubChem CID83016233
Molecular FormulaC10H16N4O5S2
Molecular Weight336.40 g/mol
Exact Mass336.06
IUPAC Name5-(ethylamino)-N-morpholin-4-yl-4-nitrothiophene-2-sulfonamide
SMILESCCNc1sc(S(=O)(=O)NN2CCOCC2)cc1[N+](=O)[O-]
InChIInChI=1S/C10H16N4O5S2/c1-2-11-10-8(14(15)16)7-9(20-10)21(17,18)12-13-3-5-19-6-4-13/h7,11-12H,2-6H2,1H3
InChIKeyKLAUWRWNWFWJDU-UHFFFAOYSA-N
XLogP0.61
TPSA113.81 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-(ethylamino)-N-morpholin-4-yl-4-nitrothiophene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopentyl-5-(ethylamino)-4-nitrothiophene-2-sulfonamide
CID 80746261
5-(ethylamino)-N-(3-methylbutan-2-yl)-4-nitrothiophene-2-sulfonamide
CID 80746591
5-(ethylamino)-4-nitro-N-phenylthiophene-2-sulfonamide
CID 80744740
N-(2-cyclopropylethyl)-5-(ethylamino)-4-nitrothiophene-2-sulfonamide
CID 80747604
5-(ethylamino)-N-(2-methylsulfanylethyl)-4-nitrothiophene-2-sulfonamide
CID 80746711
3-[[5-(ethylamino)-4-nitrothiophen-2-yl]sulfonylamino]propanamide
CID 80747104
5-(ethylamino)-N-hexan-3-yl-4-nitrothiophene-2-sulfonamide
CID 80730755
5-(ethylamino)-4-nitro-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide
CID 80731137
5-(2,2-dimethylpyrrolidin-1-yl)sulfonyl-N-ethyl-3-nitrothiophen-2-amine
CID 80731135
N-butan-2-yl-N-ethyl-5-(ethylamino)-4-nitrothiophene-2-sulfonamide
CID 80730735
N-[2-[[5-(ethylamino)-4-nitrothiophen-2-yl]sulfonylamino]ethyl]acetamide
CID 80730943
5-(ethylamino)-4-nitro-N-(1,3,4-thiadiazol-2-yl)thiophene-2-sulfonamide
CID 80747085

Frequently Asked Questions

What is the IUPAC name of 5-(ethylamino)-N-morpholin-4-yl-4-nitrothiophene-2-sulfonamide?
The IUPAC name of 5-(ethylamino)-N-morpholin-4-yl-4-nitrothiophene-2-sulfonamide (CID 83016233) is 5-(ethylamino)-N-morpholin-4-yl-4-nitrothiophene-2-sulfonamide.
What is the SMILES notation for 5-(ethylamino)-N-morpholin-4-yl-4-nitrothiophene-2-sulfonamide?
The canonical SMILES for 5-(ethylamino)-N-morpholin-4-yl-4-nitrothiophene-2-sulfonamide is CCNc1sc(S(=O)(=O)NN2CCOCC2)cc1[N+](=O)[O-].
What is the InChIKey of 5-(ethylamino)-N-morpholin-4-yl-4-nitrothiophene-2-sulfonamide?
The InChIKey is KLAUWRWNWFWJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O5S2/c1-2-11-10-8(14(15)16)7-9(20-10)21(17,18)12-13-3-5-19-6-4-13/h7,11-12H,2-6H2,1H3.
What are the key properties of 5-(ethylamino)-N-morpholin-4-yl-4-nitrothiophene-2-sulfonamide?
5-(ethylamino)-N-morpholin-4-yl-4-nitrothiophene-2-sulfonamide has a molecular weight of 336.40 g/mol, XLogP of 0.61, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylamino)-N-morpholin-4-yl-4-nitrothiophene-2-sulfonamide is sourced from PubChem (CID 83016233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).