4-amino-N-pentylthiophene-2-sulfonamide

C9H16N2O2S2 — CID 61298980

IUPAC4-amino-N-pentylthiophene-2-sulfonamide
SMILESCCCCCNS(=O)(=O)c1cc(N)cs1
InChIInChI=1S/C9H16N2O2S2/c1-2-3-4-5-11-15(12,13)9-6-8(10)7-14-9/h6-7,11H,2-5,10H2,1H3
InChIKeyQHMDMWYCENLVNQ-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.80
Rot. Bonds6

About 4-amino-N-pentylthiophene-2-sulfonamide

4-amino-N-pentylthiophene-2-sulfonamide (PubChem CID 61298980) has the molecular formula C9H16N2O2S2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-amino-N-pentylthiophene-2-sulfonamide.

Molecular Properties

Compound Name4-amino-N-pentylthiophene-2-sulfonamide
PubChem CID61298980
Molecular FormulaC9H16N2O2S2
Molecular Weight248.37 g/mol
Exact Mass248.07
IUPAC Name4-amino-N-pentylthiophene-2-sulfonamide
SMILESCCCCCNS(=O)(=O)c1cc(N)cs1
InChIInChI=1S/C9H16N2O2S2/c1-2-3-4-5-11-15(12,13)9-6-8(10)7-14-9/h6-7,11H,2-5,10H2,1H3
InChIKeyQHMDMWYCENLVNQ-UHFFFAOYSA-N
XLogP1.80
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-pentylthiophene-2-sulfonamide?
The IUPAC name of 4-amino-N-pentylthiophene-2-sulfonamide (CID 61298980) is 4-amino-N-pentylthiophene-2-sulfonamide.
What is the SMILES notation for 4-amino-N-pentylthiophene-2-sulfonamide?
The canonical SMILES for 4-amino-N-pentylthiophene-2-sulfonamide is CCCCCNS(=O)(=O)c1cc(N)cs1.
What is the InChIKey of 4-amino-N-pentylthiophene-2-sulfonamide?
The InChIKey is QHMDMWYCENLVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2S2/c1-2-3-4-5-11-15(12,13)9-6-8(10)7-14-9/h6-7,11H,2-5,10H2,1H3.
What are the key properties of 4-amino-N-pentylthiophene-2-sulfonamide?
4-amino-N-pentylthiophene-2-sulfonamide has a molecular weight of 248.37 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-pentylthiophene-2-sulfonamide is sourced from PubChem (CID 61298980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).