5-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-4-nitrothiophene-2-sulfonamide

C9H10N4O5S2 — CID 106376706

IUPAC5-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-4-nitrothiophene-2-sulfonamide
SMILESCc1cnc(CNS(=O)(=O)c2cc([N+](=O)[O-])c(N)s2)o1
InChIInChI=1S/C9H10N4O5S2/c1-5-3-11-7(18-5)4-12-20(16,17)8-2-6(13(14)15)9(10)19-8/h2-3,12H,4,10H2,1H3
InChIKeyPFJXAGULJJGPBD-UHFFFAOYSA-N
MW318.34 g/mol
LogP1.01
Rot. Bonds5

About 5-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-4-nitrothiophene-2-sulfonamide

5-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-4-nitrothiophene-2-sulfonamide (PubChem CID 106376706) has the molecular formula C9H10N4O5S2 and a molecular weight of 318.34 g/mol. Its IUPAC name is 5-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-4-nitrothiophene-2-sulfonamide.

Molecular Properties

Compound Name5-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-4-nitrothiophene-2-sulfonamide
PubChem CID106376706
Molecular FormulaC9H10N4O5S2
Molecular Weight318.34 g/mol
Exact Mass318.01
IUPAC Name5-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-4-nitrothiophene-2-sulfonamide
SMILESCc1cnc(CNS(=O)(=O)c2cc([N+](=O)[O-])c(N)s2)o1
InChIInChI=1S/C9H10N4O5S2/c1-5-3-11-7(18-5)4-12-20(16,17)8-2-6(13(14)15)9(10)19-8/h2-3,12H,4,10H2,1H3
InChIKeyPFJXAGULJJGPBD-UHFFFAOYSA-N
XLogP1.01
TPSA141.36 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 51.01
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'}

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Related Compounds

5-amino-N-ethyl-4-nitrothiophene-2-sulfonamide
CID 80747001
5-amino-N-[(2-methylpyrimidin-4-yl)methyl]-4-nitrothiophene-2-sulfonamide
CID 80730863
5-amino-N-[(3-methylthiophen-2-yl)methyl]-4-nitrothiophene-2-sulfonamide
CID 80747034
4-methyl-5-(methylaminomethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]thiophene-2-sulfonamide
CID 106378080
2-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-4-nitrobenzenesulfonamide
CID 106376760
5-amino-N-(5-methyl-1,2-oxazol-3-yl)-4-nitrothiophene-2-sulfonamide
CID 80746501
5-amino-N-[(4-chlorophenyl)methyl]-4-nitrothiophene-2-sulfonamide
CID 80745499
5-amino-N-[1-(5-methylfuran-2-yl)ethyl]-4-nitrothiophene-2-sulfonamide
CID 80730776
4-amino-3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 106369102
5-amino-N-[2-(dimethylamino)ethyl]-4-nitrothiophene-2-sulfonamide
CID 80746787
5-amino-N',N'-dimethyl-4-nitrothiophene-2-sulfonohydrazide
CID 83023425
4-(aminomethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]thiophene-2-sulfonamide
CID 106378096

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-4-nitrothiophene-2-sulfonamide?
The IUPAC name of 5-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-4-nitrothiophene-2-sulfonamide (CID 106376706) is 5-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-4-nitrothiophene-2-sulfonamide.
What is the SMILES notation for 5-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-4-nitrothiophene-2-sulfonamide?
The canonical SMILES for 5-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-4-nitrothiophene-2-sulfonamide is Cc1cnc(CNS(=O)(=O)c2cc([N+](=O)[O-])c(N)s2)o1.
What is the InChIKey of 5-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-4-nitrothiophene-2-sulfonamide?
The InChIKey is PFJXAGULJJGPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O5S2/c1-5-3-11-7(18-5)4-12-20(16,17)8-2-6(13(14)15)9(10)19-8/h2-3,12H,4,10H2,1H3.
What are the key properties of 5-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-4-nitrothiophene-2-sulfonamide?
5-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-4-nitrothiophene-2-sulfonamide has a molecular weight of 318.34 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-4-nitrothiophene-2-sulfonamide is sourced from PubChem (CID 106376706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).