5-amino-N-(1-cyclopropylpropan-2-yl)-4-nitrothiophene-2-sulfonamide

C10H15N3O4S2 — CID 80747514

IUPAC5-amino-N-(1-cyclopropylpropan-2-yl)-4-nitrothiophene-2-sulfonamide
SMILESCC(CC1CC1)NS(=O)(=O)c1cc([N+](=O)[O-])c(N)s1
InChIInChI=1S/C10H15N3O4S2/c1-6(4-7-2-3-7)12-19(16,17)9-5-8(13(14)15)10(11)18-9/h5-7,12H,2-4,11H2,1H3
InChIKeyDPNYRBYGQLDMPX-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.71
Rot. Bonds6

About 5-amino-N-(1-cyclopropylpropan-2-yl)-4-nitrothiophene-2-sulfonamide

5-amino-N-(1-cyclopropylpropan-2-yl)-4-nitrothiophene-2-sulfonamide (PubChem CID 80747514) has the molecular formula C10H15N3O4S2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 5-amino-N-(1-cyclopropylpropan-2-yl)-4-nitrothiophene-2-sulfonamide.

Molecular Properties

Compound Name5-amino-N-(1-cyclopropylpropan-2-yl)-4-nitrothiophene-2-sulfonamide
PubChem CID80747514
Molecular FormulaC10H15N3O4S2
Molecular Weight305.38 g/mol
Exact Mass305.05
IUPAC Name5-amino-N-(1-cyclopropylpropan-2-yl)-4-nitrothiophene-2-sulfonamide
SMILESCC(CC1CC1)NS(=O)(=O)c1cc([N+](=O)[O-])c(N)s1
InChIInChI=1S/C10H15N3O4S2/c1-6(4-7-2-3-7)12-19(16,17)9-5-8(13(14)15)10(11)18-9/h5-7,12H,2-4,11H2,1H3
InChIKeyDPNYRBYGQLDMPX-UHFFFAOYSA-N
XLogP1.71
TPSA115.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(1-ethoxypropan-2-yl)-4-nitrothiophene-2-sulfonamide
CID 80747699
5-amino-N-(2,2-dicyclopropylethyl)-4-nitrothiophene-2-sulfonamide
CID 80727843
5-amino-N-(1-imidazol-1-ylpropan-2-yl)-4-nitrothiophene-2-sulfonamide
CID 80731453
5-amino-N-ethyl-4-nitrothiophene-2-sulfonamide
CID 80747001
5-amino-N-(2-cyclopentylethyl)-4-nitrothiophene-2-sulfonamide
CID 80746430
5-amino-N-(2-methoxypropyl)-4-nitrothiophene-2-sulfonamide
CID 102700474
5-amino-N-[1-(5-methylfuran-2-yl)ethyl]-4-nitrothiophene-2-sulfonamide
CID 80730776
N-(1-aminopropan-2-yl)-5-chloro-4-nitrothiophene-2-sulfonamide
CID 80742339
5-chloro-N-(1-cyclopropylethyl)-4-nitrothiophene-2-sulfonamide
CID 80742232
5-amino-N',N'-dimethyl-4-nitrothiophene-2-sulfonohydrazide
CID 83023425
5-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]-4-nitrothiophene-2-sulfonamide
CID 80747419
5-amino-N-[(2-methylcyclohexyl)methyl]-4-nitrothiophene-2-sulfonamide
CID 80730152

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(1-cyclopropylpropan-2-yl)-4-nitrothiophene-2-sulfonamide?
The IUPAC name of 5-amino-N-(1-cyclopropylpropan-2-yl)-4-nitrothiophene-2-sulfonamide (CID 80747514) is 5-amino-N-(1-cyclopropylpropan-2-yl)-4-nitrothiophene-2-sulfonamide.
What is the SMILES notation for 5-amino-N-(1-cyclopropylpropan-2-yl)-4-nitrothiophene-2-sulfonamide?
The canonical SMILES for 5-amino-N-(1-cyclopropylpropan-2-yl)-4-nitrothiophene-2-sulfonamide is CC(CC1CC1)NS(=O)(=O)c1cc([N+](=O)[O-])c(N)s1.
What is the InChIKey of 5-amino-N-(1-cyclopropylpropan-2-yl)-4-nitrothiophene-2-sulfonamide?
The InChIKey is DPNYRBYGQLDMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4S2/c1-6(4-7-2-3-7)12-19(16,17)9-5-8(13(14)15)10(11)18-9/h5-7,12H,2-4,11H2,1H3.
What are the key properties of 5-amino-N-(1-cyclopropylpropan-2-yl)-4-nitrothiophene-2-sulfonamide?
5-amino-N-(1-cyclopropylpropan-2-yl)-4-nitrothiophene-2-sulfonamide has a molecular weight of 305.38 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(1-cyclopropylpropan-2-yl)-4-nitrothiophene-2-sulfonamide is sourced from PubChem (CID 80747514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).