4-[1-(butylamino)ethyl]thiophene-2-sulfonamide

C10H18N2O2S2 — CID 10038370

IUPAC4-[1-(butylamino)ethyl]thiophene-2-sulfonamide
SMILESCCCCNC(C)c1csc(S(N)(=O)=O)c1
InChIInChI=1S/C10H18N2O2S2/c1-3-4-5-12-8(2)9-6-10(15-7-9)16(11,13)14/h6-8,12H,3-5H2,1-2H3,(H2,11,13,14)
InChIKeyGZWJCAAQYGZHFZ-UHFFFAOYSA-N
MW262.40 g/mol
LogP1.85
Rot. Bonds6

About 4-[1-(butylamino)ethyl]thiophene-2-sulfonamide

4-[1-(butylamino)ethyl]thiophene-2-sulfonamide (PubChem CID 10038370) has the molecular formula C10H18N2O2S2 and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-[1-(butylamino)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-[1-(butylamino)ethyl]thiophene-2-sulfonamide
PubChem CID10038370
Molecular FormulaC10H18N2O2S2
Molecular Weight262.40 g/mol
Exact Mass262.08
IUPAC Name4-[1-(butylamino)ethyl]thiophene-2-sulfonamide
SMILESCCCCNC(C)c1csc(S(N)(=O)=O)c1
InChIInChI=1S/C10H18N2O2S2/c1-3-4-5-12-8(2)9-6-10(15-7-9)16(11,13)14/h6-8,12H,3-5H2,1-2H3,(H2,11,13,14)
InChIKeyGZWJCAAQYGZHFZ-UHFFFAOYSA-N
XLogP1.85
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 51.85
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-(butylamino)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 4-[1-(butylamino)ethyl]thiophene-2-sulfonamide (CID 10038370) is 4-[1-(butylamino)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 4-[1-(butylamino)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 4-[1-(butylamino)ethyl]thiophene-2-sulfonamide is CCCCNC(C)c1csc(S(N)(=O)=O)c1.
What is the InChIKey of 4-[1-(butylamino)ethyl]thiophene-2-sulfonamide?
The InChIKey is GZWJCAAQYGZHFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S2/c1-3-4-5-12-8(2)9-6-10(15-7-9)16(11,13)14/h6-8,12H,3-5H2,1-2H3,(H2,11,13,14).
What are the key properties of 4-[1-(butylamino)ethyl]thiophene-2-sulfonamide?
4-[1-(butylamino)ethyl]thiophene-2-sulfonamide has a molecular weight of 262.40 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(butylamino)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 10038370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).