4-amino-N-ethyl-N-(2-methylprop-2-enyl)thiophene-2-sulfonamide

C10H16N2O2S2 — CID 61300939

IUPAC4-amino-N-ethyl-N-(2-methylprop-2-enyl)thiophene-2-sulfonamide
SMILESC=C(C)CN(CC)S(=O)(=O)c1cc(N)cs1
InChIInChI=1S/C10H16N2O2S2/c1-4-12(6-8(2)3)16(13,14)10-5-9(11)7-15-10/h5,7H,2,4,6,11H2,1,3H3
InChIKeyBMUQZCMHLUFWIM-UHFFFAOYSA-N
MW260.38 g/mol
LogP1.92
Rot. Bonds5

About 4-amino-N-ethyl-N-(2-methylprop-2-enyl)thiophene-2-sulfonamide

4-amino-N-ethyl-N-(2-methylprop-2-enyl)thiophene-2-sulfonamide (PubChem CID 61300939) has the molecular formula C10H16N2O2S2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 4-amino-N-ethyl-N-(2-methylprop-2-enyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-amino-N-ethyl-N-(2-methylprop-2-enyl)thiophene-2-sulfonamide
PubChem CID61300939
Molecular FormulaC10H16N2O2S2
Molecular Weight260.38 g/mol
Exact Mass260.07
IUPAC Name4-amino-N-ethyl-N-(2-methylprop-2-enyl)thiophene-2-sulfonamide
SMILESC=C(C)CN(CC)S(=O)(=O)c1cc(N)cs1
InChIInChI=1S/C10H16N2O2S2/c1-4-12(6-8(2)3)16(13,14)10-5-9(11)7-15-10/h5,7H,2,4,6,11H2,1,3H3
InChIKeyBMUQZCMHLUFWIM-UHFFFAOYSA-N
XLogP1.92
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-N-(2-methylprop-2-enyl)thiophene-2-sulfonamide?
The IUPAC name of 4-amino-N-ethyl-N-(2-methylprop-2-enyl)thiophene-2-sulfonamide (CID 61300939) is 4-amino-N-ethyl-N-(2-methylprop-2-enyl)thiophene-2-sulfonamide.
What is the SMILES notation for 4-amino-N-ethyl-N-(2-methylprop-2-enyl)thiophene-2-sulfonamide?
The canonical SMILES for 4-amino-N-ethyl-N-(2-methylprop-2-enyl)thiophene-2-sulfonamide is C=C(C)CN(CC)S(=O)(=O)c1cc(N)cs1.
What is the InChIKey of 4-amino-N-ethyl-N-(2-methylprop-2-enyl)thiophene-2-sulfonamide?
The InChIKey is BMUQZCMHLUFWIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S2/c1-4-12(6-8(2)3)16(13,14)10-5-9(11)7-15-10/h5,7H,2,4,6,11H2,1,3H3.
What are the key properties of 4-amino-N-ethyl-N-(2-methylprop-2-enyl)thiophene-2-sulfonamide?
4-amino-N-ethyl-N-(2-methylprop-2-enyl)thiophene-2-sulfonamide has a molecular weight of 260.38 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-N-(2-methylprop-2-enyl)thiophene-2-sulfonamide is sourced from PubChem (CID 61300939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).