3-(1,3-dioxolan-2-yl)-N-(4-hydroxybutyl)thiophene-2-sulfonamide

C11H17NO5S2 — CID 19434018

IUPAC3-(1,3-dioxolan-2-yl)-N-(4-hydroxybutyl)thiophene-2-sulfonamide
SMILESO=S(=O)(NCCCCO)c1sccc1C1OCCO1
InChIInChI=1S/C11H17NO5S2/c13-5-2-1-4-12-19(14,15)11-9(3-8-18-11)10-16-6-7-17-10/h3,8,10,12-13H,1-2,4-7H2
InChIKeyRFPXHHCPHSKVDW-UHFFFAOYSA-N
MW307.39 g/mol
LogP0.84
Rot. Bonds7

About 3-(1,3-dioxolan-2-yl)-N-(4-hydroxybutyl)thiophene-2-sulfonamide

3-(1,3-dioxolan-2-yl)-N-(4-hydroxybutyl)thiophene-2-sulfonamide (PubChem CID 19434018) has the molecular formula C11H17NO5S2 and a molecular weight of 307.39 g/mol. Its IUPAC name is 3-(1,3-dioxolan-2-yl)-N-(4-hydroxybutyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name3-(1,3-dioxolan-2-yl)-N-(4-hydroxybutyl)thiophene-2-sulfonamide
PubChem CID19434018
Molecular FormulaC11H17NO5S2
Molecular Weight307.39 g/mol
Exact Mass307.05
IUPAC Name3-(1,3-dioxolan-2-yl)-N-(4-hydroxybutyl)thiophene-2-sulfonamide
SMILESO=S(=O)(NCCCCO)c1sccc1C1OCCO1
InChIInChI=1S/C11H17NO5S2/c13-5-2-1-4-12-19(14,15)11-9(3-8-18-11)10-16-6-7-17-10/h3,8,10,12-13H,1-2,4-7H2
InChIKeyRFPXHHCPHSKVDW-UHFFFAOYSA-N
XLogP0.84
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(1,3-dioxolan-2-yl)thiophene-2-sulfonic acid
CID 87472470
3-(1,3-dioxolan-2-yl)-N-propan-2-ylthiophene-2-sulfonamide
CID 19434035
3-(5-hydroxypentylsulfamoyl)thiophene-2-carboxylic acid
CID 107316565
3-bromo-N-[2-(3-hydroxypropylsulfanyl)ethyl]thiophene-2-sulfonamide
CID 103834752
7-[3-(1,3-dioxolan-2-yl)thiophen-2-yl]sulfonyl-2-oxa-7-azaspiro[4.4]nonane
CID 136561853
4-[(3-bromothiophen-2-yl)sulfonylamino]-N-cyclopropylbutanamide
CID 112732422
3-bromo-N-(5-hydroxy-4-methylpentyl)thiophene-2-sulfonamide
CID 103858901
10-hydroxydecylsulfamic acid
CID 151793979
3-bromo-N-[2-(2-hydroxyethoxy)ethyl]thiophene-2-sulfonamide
CID 61456223
4-amino-N-(5-hydroxypentyl)benzenesulfonamide
CID 107316374
methyl 5-(6-hydroxyhexylsulfamoyl)-1,3-thiazole-4-carboxylate
CID 104773163
5-[(cyclopropylamino)methyl]-N-(5-hydroxypentyl)furan-2-sulfonamide
CID 107323800

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxolan-2-yl)-N-(4-hydroxybutyl)thiophene-2-sulfonamide?
The IUPAC name of 3-(1,3-dioxolan-2-yl)-N-(4-hydroxybutyl)thiophene-2-sulfonamide (CID 19434018) is 3-(1,3-dioxolan-2-yl)-N-(4-hydroxybutyl)thiophene-2-sulfonamide.
What is the SMILES notation for 3-(1,3-dioxolan-2-yl)-N-(4-hydroxybutyl)thiophene-2-sulfonamide?
The canonical SMILES for 3-(1,3-dioxolan-2-yl)-N-(4-hydroxybutyl)thiophene-2-sulfonamide is O=S(=O)(NCCCCO)c1sccc1C1OCCO1.
What is the InChIKey of 3-(1,3-dioxolan-2-yl)-N-(4-hydroxybutyl)thiophene-2-sulfonamide?
The InChIKey is RFPXHHCPHSKVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO5S2/c13-5-2-1-4-12-19(14,15)11-9(3-8-18-11)10-16-6-7-17-10/h3,8,10,12-13H,1-2,4-7H2.
What are the key properties of 3-(1,3-dioxolan-2-yl)-N-(4-hydroxybutyl)thiophene-2-sulfonamide?
3-(1,3-dioxolan-2-yl)-N-(4-hydroxybutyl)thiophene-2-sulfonamide has a molecular weight of 307.39 g/mol, XLogP of 0.84, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxolan-2-yl)-N-(4-hydroxybutyl)thiophene-2-sulfonamide is sourced from PubChem (CID 19434018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).