5-amino-N-(2-methoxypropyl)-4-nitrothiophene-2-sulfonamide

C8H13N3O5S2 — CID 102700474

IUPAC5-amino-N-(2-methoxypropyl)-4-nitrothiophene-2-sulfonamide
SMILESCOC(C)CNS(=O)(=O)c1cc([N+](=O)[O-])c(N)s1
InChIInChI=1S/C8H13N3O5S2/c1-5(16-2)4-10-18(14,15)7-3-6(11(12)13)8(9)17-7/h3,5,10H,4,9H2,1-2H3
InChIKeyHUZDGRAWHZPBSG-UHFFFAOYSA-N
MW295.34 g/mol
LogP0.55
Rot. Bonds6

About 5-amino-N-(2-methoxypropyl)-4-nitrothiophene-2-sulfonamide

5-amino-N-(2-methoxypropyl)-4-nitrothiophene-2-sulfonamide (PubChem CID 102700474) has the molecular formula C8H13N3O5S2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 5-amino-N-(2-methoxypropyl)-4-nitrothiophene-2-sulfonamide.

Molecular Properties

Compound Name5-amino-N-(2-methoxypropyl)-4-nitrothiophene-2-sulfonamide
PubChem CID102700474
Molecular FormulaC8H13N3O5S2
Molecular Weight295.34 g/mol
Exact Mass295.03
IUPAC Name5-amino-N-(2-methoxypropyl)-4-nitrothiophene-2-sulfonamide
SMILESCOC(C)CNS(=O)(=O)c1cc([N+](=O)[O-])c(N)s1
InChIInChI=1S/C8H13N3O5S2/c1-5(16-2)4-10-18(14,15)7-3-6(11(12)13)8(9)17-7/h3,5,10H,4,9H2,1-2H3
InChIKeyHUZDGRAWHZPBSG-UHFFFAOYSA-N
XLogP0.55
TPSA124.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 50.55
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

5-chloro-N-(2-methoxypropyl)-4-nitrothiophene-2-sulfonamide
CID 102697574
5-amino-N-ethyl-4-nitrothiophene-2-sulfonamide
CID 80747001
5-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]-4-nitrothiophene-2-sulfonamide
CID 80747419
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-(1-ethoxypropan-2-yl)-4-nitrothiophene-2-sulfonamide
CID 80747699
5-amino-N-[2-(diethylamino)ethyl]-4-nitrothiophene-2-sulfonamide
CID 80746263
2-[(5-amino-4-nitrothiophen-2-yl)sulfonylamino]ethylurea
CID 83114819
N-(2-aminopropyl)-5-chloro-4-nitrothiophene-2-sulfonamide
CID 80742338
5-amino-N',N'-dimethyl-4-nitrothiophene-2-sulfonohydrazide
CID 83023425
5-amino-N-[(3-methylthiophen-2-yl)methyl]-4-nitrothiophene-2-sulfonamide
CID 80747034
5-amino-N-(1-cyclopropylpropan-2-yl)-4-nitrothiophene-2-sulfonamide
CID 80747514

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-methoxypropyl)-4-nitrothiophene-2-sulfonamide?
The IUPAC name of 5-amino-N-(2-methoxypropyl)-4-nitrothiophene-2-sulfonamide (CID 102700474) is 5-amino-N-(2-methoxypropyl)-4-nitrothiophene-2-sulfonamide.
What is the SMILES notation for 5-amino-N-(2-methoxypropyl)-4-nitrothiophene-2-sulfonamide?
The canonical SMILES for 5-amino-N-(2-methoxypropyl)-4-nitrothiophene-2-sulfonamide is COC(C)CNS(=O)(=O)c1cc([N+](=O)[O-])c(N)s1.
What is the InChIKey of 5-amino-N-(2-methoxypropyl)-4-nitrothiophene-2-sulfonamide?
The InChIKey is HUZDGRAWHZPBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O5S2/c1-5(16-2)4-10-18(14,15)7-3-6(11(12)13)8(9)17-7/h3,5,10H,4,9H2,1-2H3.
What are the key properties of 5-amino-N-(2-methoxypropyl)-4-nitrothiophene-2-sulfonamide?
5-amino-N-(2-methoxypropyl)-4-nitrothiophene-2-sulfonamide has a molecular weight of 295.34 g/mol, XLogP of 0.55, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-methoxypropyl)-4-nitrothiophene-2-sulfonamide is sourced from PubChem (CID 102700474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).