5-amino-N-(2-methyloxolan-3-yl)-4-nitrothiophene-2-sulfonamide

C9H13N3O5S2 — CID 82737437

IUPAC5-amino-N-(2-methyloxolan-3-yl)-4-nitrothiophene-2-sulfonamide
SMILESCC1OCCC1NS(=O)(=O)c1cc([N+](=O)[O-])c(N)s1
InChIInChI=1S/C9H13N3O5S2/c1-5-6(2-3-17-5)11-19(15,16)8-4-7(12(13)14)9(10)18-8/h4-6,11H,2-3,10H2,1H3
InChIKeyDDHTTZZHVYQANS-UHFFFAOYSA-N
MW307.35 g/mol
LogP0.69
Rot. Bonds4

About 5-amino-N-(2-methyloxolan-3-yl)-4-nitrothiophene-2-sulfonamide

5-amino-N-(2-methyloxolan-3-yl)-4-nitrothiophene-2-sulfonamide (PubChem CID 82737437) has the molecular formula C9H13N3O5S2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 5-amino-N-(2-methyloxolan-3-yl)-4-nitrothiophene-2-sulfonamide.

Molecular Properties

Compound Name5-amino-N-(2-methyloxolan-3-yl)-4-nitrothiophene-2-sulfonamide
PubChem CID82737437
Molecular FormulaC9H13N3O5S2
Molecular Weight307.35 g/mol
Exact Mass307.03
IUPAC Name5-amino-N-(2-methyloxolan-3-yl)-4-nitrothiophene-2-sulfonamide
SMILESCC1OCCC1NS(=O)(=O)c1cc([N+](=O)[O-])c(N)s1
InChIInChI=1S/C9H13N3O5S2/c1-5-6(2-3-17-5)11-19(15,16)8-4-7(12(13)14)9(10)18-8/h4-6,11H,2-3,10H2,1H3
InChIKeyDDHTTZZHVYQANS-UHFFFAOYSA-N
XLogP0.69
TPSA124.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 50.69
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'}

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Related Compounds

4-amino-N-(2-methyloxolan-3-yl)-3-nitrobenzenesulfonamide
CID 82729066
4-hydrazinyl-N-(2-methyloxolan-3-yl)-3-nitrobenzenesulfonamide
CID 82729356
5-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-4-nitrothiophene-2-sulfonamide
CID 80745239
3-(methylamino)-N-(2-methyloxolan-3-yl)-4-nitrobenzenesulfonamide
CID 82845654
5-amino-N-ethyl-4-nitrothiophene-2-sulfonamide
CID 80747001
5-amino-N',N'-dimethyl-4-nitrothiophene-2-sulfonohydrazide
CID 83023425
5-amino-N-[(2-methylcyclohexyl)methyl]-4-nitrothiophene-2-sulfonamide
CID 80730152
5-amino-N-(1-cyclopropylpropan-2-yl)-4-nitrothiophene-2-sulfonamide
CID 80747514
5-amino-N-(2,2-dicyclopropylethyl)-4-nitrothiophene-2-sulfonamide
CID 80727843
5-amino-N-[2-(dimethylamino)ethyl]-4-nitrothiophene-2-sulfonamide
CID 80746787
5-amino-N-(2-cyclopentylethyl)-4-nitrothiophene-2-sulfonamide
CID 80746430
5-amino-N-[(1-methylpiperidin-3-yl)methyl]-4-nitrothiophene-2-sulfonamide
CID 80731331

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-methyloxolan-3-yl)-4-nitrothiophene-2-sulfonamide?
The IUPAC name of 5-amino-N-(2-methyloxolan-3-yl)-4-nitrothiophene-2-sulfonamide (CID 82737437) is 5-amino-N-(2-methyloxolan-3-yl)-4-nitrothiophene-2-sulfonamide.
What is the SMILES notation for 5-amino-N-(2-methyloxolan-3-yl)-4-nitrothiophene-2-sulfonamide?
The canonical SMILES for 5-amino-N-(2-methyloxolan-3-yl)-4-nitrothiophene-2-sulfonamide is CC1OCCC1NS(=O)(=O)c1cc([N+](=O)[O-])c(N)s1.
What is the InChIKey of 5-amino-N-(2-methyloxolan-3-yl)-4-nitrothiophene-2-sulfonamide?
The InChIKey is DDHTTZZHVYQANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O5S2/c1-5-6(2-3-17-5)11-19(15,16)8-4-7(12(13)14)9(10)18-8/h4-6,11H,2-3,10H2,1H3.
What are the key properties of 5-amino-N-(2-methyloxolan-3-yl)-4-nitrothiophene-2-sulfonamide?
5-amino-N-(2-methyloxolan-3-yl)-4-nitrothiophene-2-sulfonamide has a molecular weight of 307.35 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-methyloxolan-3-yl)-4-nitrothiophene-2-sulfonamide is sourced from PubChem (CID 82737437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).