5-amino-N-[1-(5-methylfuran-2-yl)ethyl]-4-nitrothiophene-2-sulfonamide

C11H13N3O5S2 — CID 80730776

IUPAC5-amino-N-[1-(5-methylfuran-2-yl)ethyl]-4-nitrothiophene-2-sulfonamide
SMILESCc1ccc(C(C)NS(=O)(=O)c2cc([N+](=O)[O-])c(N)s2)o1
InChIInChI=1S/C11H13N3O5S2/c1-6-3-4-9(19-6)7(2)13-21(17,18)10-5-8(14(15)16)11(12)20-10/h3-5,7,13H,12H2,1-2H3
InChIKeyHKOIZSCDCAQIIF-UHFFFAOYSA-N
MW331.38 g/mol
LogP2.18
Rot. Bonds5

About 5-amino-N-[1-(5-methylfuran-2-yl)ethyl]-4-nitrothiophene-2-sulfonamide

5-amino-N-[1-(5-methylfuran-2-yl)ethyl]-4-nitrothiophene-2-sulfonamide (PubChem CID 80730776) has the molecular formula C11H13N3O5S2 and a molecular weight of 331.38 g/mol. Its IUPAC name is 5-amino-N-[1-(5-methylfuran-2-yl)ethyl]-4-nitrothiophene-2-sulfonamide.

Molecular Properties

Compound Name5-amino-N-[1-(5-methylfuran-2-yl)ethyl]-4-nitrothiophene-2-sulfonamide
PubChem CID80730776
Molecular FormulaC11H13N3O5S2
Molecular Weight331.38 g/mol
Exact Mass331.03
IUPAC Name5-amino-N-[1-(5-methylfuran-2-yl)ethyl]-4-nitrothiophene-2-sulfonamide
SMILESCc1ccc(C(C)NS(=O)(=O)c2cc([N+](=O)[O-])c(N)s2)o1
InChIInChI=1S/C11H13N3O5S2/c1-6-3-4-9(19-6)7(2)13-21(17,18)10-5-8(14(15)16)11(12)20-10/h3-5,7,13H,12H2,1-2H3
InChIKeyHKOIZSCDCAQIIF-UHFFFAOYSA-N
XLogP2.18
TPSA128.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 52.18
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'}

Analyze 5-amino-N-[1-(5-methylfuran-2-yl)ethyl]-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

5-amino-N-(1-ethoxypropan-2-yl)-4-nitrothiophene-2-sulfonamide
CID 80747699
5-amino-N-(1-cyclopropylpropan-2-yl)-4-nitrothiophene-2-sulfonamide
CID 80747514
5-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-4-nitrothiophene-2-sulfonamide
CID 106376706
5-amino-N-(5-methyl-1,2-oxazol-3-yl)-4-nitrothiophene-2-sulfonamide
CID 80746501
5-chloro-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]thiophene-2-sulfonamide
CID 29355029
5-amino-N-ethyl-4-nitrothiophene-2-sulfonamide
CID 80747001
5-amino-N',N'-dimethyl-4-nitrothiophene-2-sulfonohydrazide
CID 83023425
5-amino-N-(1-imidazol-1-ylpropan-2-yl)-4-nitrothiophene-2-sulfonamide
CID 80731453
5-amino-N-(2-methoxypropyl)-4-nitrothiophene-2-sulfonamide
CID 102700474
5-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]-4-nitrothiophene-2-sulfonamide
CID 80747419
5-amino-N-[(3-methylthiophen-2-yl)methyl]-4-nitrothiophene-2-sulfonamide
CID 80747034
4-amino-2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 61126824

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[1-(5-methylfuran-2-yl)ethyl]-4-nitrothiophene-2-sulfonamide?
The IUPAC name of 5-amino-N-[1-(5-methylfuran-2-yl)ethyl]-4-nitrothiophene-2-sulfonamide (CID 80730776) is 5-amino-N-[1-(5-methylfuran-2-yl)ethyl]-4-nitrothiophene-2-sulfonamide.
What is the SMILES notation for 5-amino-N-[1-(5-methylfuran-2-yl)ethyl]-4-nitrothiophene-2-sulfonamide?
The canonical SMILES for 5-amino-N-[1-(5-methylfuran-2-yl)ethyl]-4-nitrothiophene-2-sulfonamide is Cc1ccc(C(C)NS(=O)(=O)c2cc([N+](=O)[O-])c(N)s2)o1.
What is the InChIKey of 5-amino-N-[1-(5-methylfuran-2-yl)ethyl]-4-nitrothiophene-2-sulfonamide?
The InChIKey is HKOIZSCDCAQIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O5S2/c1-6-3-4-9(19-6)7(2)13-21(17,18)10-5-8(14(15)16)11(12)20-10/h3-5,7,13H,12H2,1-2H3.
What are the key properties of 5-amino-N-[1-(5-methylfuran-2-yl)ethyl]-4-nitrothiophene-2-sulfonamide?
5-amino-N-[1-(5-methylfuran-2-yl)ethyl]-4-nitrothiophene-2-sulfonamide has a molecular weight of 331.38 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[1-(5-methylfuran-2-yl)ethyl]-4-nitrothiophene-2-sulfonamide is sourced from PubChem (CID 80730776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).