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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Related Compounds

Dorzolamide
CID 5284549
Dorzolamide Hydrochloride
CID 6918132
Sezolamide
CID 60693
Sezolamide Hydrochloride
CID 60692
4H-Thieno(2,3-b)thiopyran-2-sulfonamide, 4-(ethylamino)-5,6-dihydro-6-methyl-, 7,7-dioxide
CID 3154
(4R,6R)-4-(Ethylamino)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide 7,7-dioxide
CID 92087
(4s-Trans)-4-(Methylamino)-5,6-Dihydro-6-Methyl-4h-Thieno(2,3-B)Thiopyran-2-Sulfonamide-7,7-Dioxide
CID 5288859
(4R,6S)-4-(Ethylamino)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide 7,7-dioxide
CID 6604453
N-Deethyldorzolamide
CID 3074858
Trans-5,6-dihydro-4-ethylamino-6-(n-propyl)-4H-thieno[2,3-b]thiopyran-2-sulfonamide-7,7-dioxide
CID 9863339
(4S,6R)-6-ethyl-4-(ethylamino)-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide
CID 44266117
ethyl-[(4S,6S)-6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]azanium
CID 36688115

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).