4-(1-aminoheptyl)thiophene-2-sulfonamide

C11H20N2O2S2 — CID 10107524

IUPAC4-(1-aminoheptyl)thiophene-2-sulfonamide
SMILESCCCCCCC(N)c1csc(S(N)(=O)=O)c1
InChIInChI=1S/C11H20N2O2S2/c1-2-3-4-5-6-10(12)9-7-11(16-8-9)17(13,14)15/h7-8,10H,2-6,12H2,1H3,(H2,13,14,15)
InChIKeyJWLNMLSEQZZQDW-UHFFFAOYSA-N
MW276.43 g/mol
LogP2.37
Rot. Bonds7

About 4-(1-aminoheptyl)thiophene-2-sulfonamide

4-(1-aminoheptyl)thiophene-2-sulfonamide (PubChem CID 10107524) has the molecular formula C11H20N2O2S2 and a molecular weight of 276.43 g/mol. Its IUPAC name is 4-(1-aminoheptyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-(1-aminoheptyl)thiophene-2-sulfonamide
PubChem CID10107524
Molecular FormulaC11H20N2O2S2
Molecular Weight276.43 g/mol
Exact Mass276.10
IUPAC Name4-(1-aminoheptyl)thiophene-2-sulfonamide
SMILESCCCCCCC(N)c1csc(S(N)(=O)=O)c1
InChIInChI=1S/C11H20N2O2S2/c1-2-3-4-5-6-10(12)9-7-11(16-8-9)17(13,14)15/h7-8,10H,2-6,12H2,1H3,(H2,13,14,15)
InChIKeyJWLNMLSEQZZQDW-UHFFFAOYSA-N
XLogP2.37
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 52.37
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-(1-aminoheptyl)thiophene-2-sulfonamide?
The IUPAC name of 4-(1-aminoheptyl)thiophene-2-sulfonamide (CID 10107524) is 4-(1-aminoheptyl)thiophene-2-sulfonamide.
What is the SMILES notation for 4-(1-aminoheptyl)thiophene-2-sulfonamide?
The canonical SMILES for 4-(1-aminoheptyl)thiophene-2-sulfonamide is CCCCCCC(N)c1csc(S(N)(=O)=O)c1.
What is the InChIKey of 4-(1-aminoheptyl)thiophene-2-sulfonamide?
The InChIKey is JWLNMLSEQZZQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S2/c1-2-3-4-5-6-10(12)9-7-11(16-8-9)17(13,14)15/h7-8,10H,2-6,12H2,1H3,(H2,13,14,15).
What are the key properties of 4-(1-aminoheptyl)thiophene-2-sulfonamide?
4-(1-aminoheptyl)thiophene-2-sulfonamide has a molecular weight of 276.43 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminoheptyl)thiophene-2-sulfonamide is sourced from PubChem (CID 10107524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).